Arsenic trioxide (CED0002425)

Record Information

Version

1.0

Creation Date

2009-03-06 18:58:19 UTC

Update Date

2026-05-14 16:58:24 UTC

SynCED ID

CED0002425

Secondary Accession Numbers

CHEM000196
T3D0224

Identification

Common Name

Arsenic trioxide

Class

Small Molecule

Description

Arsenic trioxide is an exogenous solid with the formula As2O3 and an average molecular weight of 197.84 g/mol. Arsenic trioxide belongs to the miscellaneous metallic oxoanionic compounds, a subclass of miscellaneous mixed metal/non-metals within the inorganic compounds. It is utilized as an insecticide and an antineoplastic agent. Recorded sources of the compound include electrical and electronic equipment such as antennas, amplifiers, auxiliary devices, electric hearing aids, and gas filled discharge tubes with solid cathode; food, food processing and cookware including the preparation of vinegar and malt; household items such as key rings; household cleaning and consumer products including non electric simulated smoking devices; and healthcare, pharmaceuticals and veterinary products. The recorded route of exposure is intravenous. The compound interacts with 40 recorded protein targets. It binds to hemoglobin subunit alpha (HBA1), hemoglobin subunit beta (HBB), haptoglobin, the estrogen receptor (ESR1), the glucocorticoid receptor (NR3C1), and kelch-like ECH-associated protein 1 (KEAP1). Binding of PARP-1 is believed to induce carcinogenesis by affecting DNA repair. Arsenic trioxide binds glutathione reductase, mitochondrial (GSR), resulting in the inhibition of essential biochemical reactions, alteration of cellular redox status, and eventual cytotoxicity. Additionally, it targets pyruvate dehydrogenase E1 component subunit alpha somatic form (PDHA1), subunit beta (PDHB), and testis-specific form (PDHA2), as well as the dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (DLAT). Through these targets, arsenic disrupts ATP production by inhibiting pyruvate dehydrogenase and competing with phosphate to uncouple oxidative phosphorylation, which inhibits mitochondrial respiration, ATP synthesis, and energy-linked reduction of NAD+. This process may increase hydrogen peroxide production, potentially forming oxidative stress and reactive oxygen species.

Contaminant Type

Antineoplastic Agent
Arsenic Compound
Drug
Homeopathic Agent
Human Neurotoxin
Inorganic Compound
Metabolite
Metalloid
Pesticide
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Arseni trioxydum	HMDB
Arsenic oxidearsenous trioxide	HMDB
Arsenious acid	HMDB
Arsenious trioxide	HMDB
Arsentrioxide	HMDB
Trixenox	HMDB
Arsenic(III) oxide	HMDB
Arsenous anhydride	HMDB
Diarsenic trioxide	HMDB
Naonobin	HMDB

Chemical Formula

As₂O₃

Average Molecular Mass

197.841 g/mol

Monoisotopic Mass

197.828 g/mol

CAS Registry Number

1327-53-3

IUPAC Name

bicyclo[1.1.1]diarsoxane

Traditional Name

arsenic trioxide

SMILES

O1[As]2O[As]1O2

InChI Identifier

InChI=1S/As2O3/c3-1-4-2(3)5-1

InChI Key

GOLCXWYRSKYTSP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as miscellaneous arsenites. These are inorganic compounds in which the largest metallic oxoanion is arsenite, to which either no atom or a non metal atom is bonded.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Miscellaneous mixed metal/non-metals

Sub Class

Miscellaneous metallic oxoanionic compounds

Direct Parent

Miscellaneous arsenites

Alternative Parents

Substituents

Arsenite
Trivalent inorganic arsenic compound
Inorganic salt
Inorganic metalloid salt
Inorganic arsenic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Membrane

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	465°C
Boiling Point	Not Available
Solubility	1.7E+004 mg/L (at 16°C)

Predicted Properties

Property	Value	Source
logP	2.31	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	27.69 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	4.05 m³·mol⁻¹	ChemAxon
Polarizability	7.14 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0002-0900000000-14fe3cc303b049cb7ced	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-6c867befd4a45c267fb2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-6c867befd4a45c267fb2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-6c867befd4a45c267fb2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-1b8349532ab21b78bc14	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-1b8349532ab21b78bc14	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-1b8349532ab21b78bc14	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-0aa3a83a61e7aa4078bc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-0aa3a83a61e7aa4078bc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0900000000-0aa3a83a61e7aa4078bc	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
871.0 mg/kg	Rat	LD50	Intraperitoneal	experimental	Not Available	12
31500.0 ug/kg	Mouse	LD50	Oral	experimental	Not Available	12
9800.0 ug/kg	Mouse	LD50	Subcutaneous	experimental	Not Available	12
10700.0 ug/kg	Mouse	LD50	Intravenous	experimental	Not Available	12
17.75 mg/L	Rat	LOEL	oral	experimental	Not Available	ECOTOX - EPA ORD
17.75 mg/L	Rat	NOEL	oral	experimental	Not Available	ECOTOX - EPA ORD

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

The mechanism of action of Arsenic Trioxide is not completely understood. Arsenic trioxide causes morphological changes and DNA fragmentation characteristic of apoptosis in NB4 human promyelocytic leukemia cells in vitro. Arsenic trioxide also causes damage or degradation of the fusion protein PML/RAR-alpha. It is suspected that arsenic trioxide induces cancer cells to undergo apoptosis. Arsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (11, 3)

Carcinogenicity (IARC Classification)

1, carcinogenic to humans. (9)

Minimum Risk Level

Acute Oral: 0.005 mg/kg/day (8) Chronic Oral: 0.0003 mg/kg/day (8) Chronic Inhalation: 0.01 mg/m3 (8)

Symptoms

Symptoms of overdose include convulsions, muscle weakness and confusion. Exposure to lower levels of arsenic can cause nausea and vomiting, decreased production of red and white blood cells, abnormal heart rhythm, and damage to blood vessels.

Treatment

Arsenic poisoning can be treated by chelation therapy, using chelating agents such as dimercaprol, EDTA or DMSA. Charcoal tablets may also be used for less severe cases. In addition, maintaining a diet high in sulfur helps eliminate arsenic from the body. (6)

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000358	Antineoplastic agents?Antineoplastic agents are a class of synthetic chemicals used primarily in the treatment of cancer.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000505	Amplifiers?Amplifiers, commonly used in various electronic devices to enhance signal strength, can be a source of synthetic chemical contamination due to the materials and processes involved in their production and disposal.	Electrical & Electronic Equipment	PubChem
CEDs000506	Antennas?Antennas, commonly used in communication technologies, can be a source of synthetic chemical contamination through the materials and coatings used in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000507	Auxiliary Devices?Auxiliary devices, such as capacitors, transformers, and circuit breakers, are integral components in various electronic systems.	Electrical & Electronic Equipment	PubChem
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000514	Discharge Lamps?Discharge lamps, including fluorescent and high-intensity discharge (HID) lamps, are commonly used for lighting applications due to their energy efficiency and brightness.	Electrical & Electronic Equipment	PubChem
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	PubChem
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000523	Gas Filled Discharge Tubes With Solid Cathode?Gas Filled Discharge Tubes with Solid Cathodes are electrical components that facilitate the flow of current by ionizing gas within a sealed tube.	Electrical & Electronic Equipment	PubChem
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000527	Magnets?Magnets, commonly used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials used in their production.	Electrical & Electronic Equipment	PubChem
CEDs000531	Relays?Relays are electromechanical switches used to control circuits and manage electrical loads.	Electrical & Electronic Equipment	PubChem
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	Electrical & Electronic Equipment	PubChem
CEDs000538	Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000547	Preparation Of Malt?Malt preparation involves the germination and drying of cereal grains, primarily barley, to produce malt for brewing and food products.	Food, food processing & cookware	PubChem
CEDs000548	Preparation Of Vinegar?Vinegar is produced through the fermentation of ethanol by acetic acid bacteria, resulting in a solution that typically contains 4-8% acetic acid.	Food, food processing & cookware	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000573	Key Rings?Key rings are commonly made from various synthetic materials, including plastics and metals, which can be sources of chemical contamination.	Household items	PubChem
CEDs000579	Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.	Industrial manufacturing & chemical processing	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000595	Ships?Ships, as vehicles for international trade and transportation, can be significant sources of synthetic chemical contamination in marine environments.	Marine, shipping & aquaculture	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000597	Chemosterilants?Chemosterilants are synthetic chemicals designed to induce sterility in target pest populations, thereby controlling their reproduction and mitigating damage to crops.	Agriculture & land management	PubChem
CEDs000598	Fertiliser Distributors?Fertiliser distributors play a critical role in the supply of synthetic fertilizers, which are widely used to enhance soil fertility and crop yield.	Agriculture & land management	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000602	Molluscicides?Molluscicides are synthetic chemicals specifically designed to control and eliminate mollusks, such as snails and slugs, which can be detrimental to crops and agricultural productivity.	Agriculture & land management	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000604	Pest Attractants?Pest attractants are synthetic chemicals designed to lure specific pests for monitoring or control purposes.	Agriculture & land management	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000607	Rodenticides(1)?Rodenticides are synthetic chemicals specifically formulated to control rodent populations, serving as a crucial tool in managing pests that can damage crops and spread diseases.	Agriculture & land management	PubChem
CEDs000608	Rodenticides?Rodenticides are chemical substances specifically designed to control rodent populations by causing death through various mechanisms, including anticoagulation or neurotoxicity.	Agriculture & land management	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000652	Ropes?Ropes manufactured from synthetic fibers, such as polypropylene, nylon, and polyester, are widely used in various applications, including marine, construction, and outdoor activities.	Textiles, leather & furnishings	PubChem
CEDs000653	Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.	Textiles, leather & furnishings	PubChem
CEDs000659	Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.	Textiles, leather & furnishings	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000667	Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.	Fire suppression systems & agents	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000673	Unmanned Aerial Vehicles?Unmanned Aerial Vehicles (UAVs), commonly known as drones, utilize various synthetic chemicals in their manufacturing, operation, and maintenance processes.	Aviation & Aerospace	PubChem
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000686	Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.	Building & Construction	PubChem
CEDs000687	Crystal Glass?Crystal glass, known for its clarity and brilliance, is often produced using lead oxide, which enhances its refractive quality.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000689	Glass Fibres?Glass fibres are composed of fine strands of glass, commonly utilized for their tensile strength and lightweight properties.	Building & Construction	PubChem
CEDs000690	Lime?Lime, primarily comprised of calcium oxide (CaO) or calcium hydroxide (Ca(OH)₂), is widely used in various applications, including as a key ingredient in mortars, plasters, and cement.	Building & Construction	PubChem
CEDs000691	Non Oxide Glass?Non-oxide glass refers to a category of glasses primarily composed of materials other than silicon dioxide, such as boron oxide or phosphorous oxide.	Building & Construction	PubChem
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	Building & Construction	PubChem
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem
CEDs000699	Mining Or Quarrying?Mining and quarrying operations can lead to synthetic chemical contamination through the release of various pollutants associated with the extraction and processing of minerals.	Mining & metal processing	PubChem
CEDs000732	Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.	Healthcare, pharmaceuticals & veterinary products	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	PubChem
CEDs000742	Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.	Textiles, leather & furnishings	PubChem
CEDs000743	Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.	Wastewater, sanitation & biosolids	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

1 pathwayPathway Source: PathBank

Arsenic trioxide Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	PA-I galactophilic lectin	Q05097	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	Prediction Confidence Score 0.058 Applicability Domain 0.087 Low confidence Statistical Significance 0.7224 Supporting Reference Compounds 4 E-value 5623.75
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.057 Applicability Domain 0.061 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 203 E-value 7784.61
Click to view 3D structure	Lectin	B4EH87	Burkholderia cenocepacia (strain ATCC BAA-245 / DSM 16553 / LMG 16656/ NCTC 13227 / J2315 / CF5610) (Burkholderia cepacia (strain J2315))	Predicted (SEA)	Prediction Confidence Score 0.055 Applicability Domain 0.077 Low confidence Statistical Significance 0.6683 Supporting Reference Compounds 3 E-value 5202.51
Click to view 3D structure	Type 1 fimbrin D-mannose specific adhesin	P08191	Escherichia coli K-12	Predicted (SEA)	Prediction Confidence Score 0.055 Applicability Domain 0.077 Low confidence Statistical Significance 0.8284 Supporting Reference Compounds 4 E-value 6448.72
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.054 Applicability Domain 0.061 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 297 E-value 7784.61
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21396	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.052 Applicability Domain 0.069 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 66 E-value 7784.61
Click to view 3D structure	Amine oxidase [flavin-containing] B	P19643	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.052 Applicability Domain 0.069 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 77 E-value 7784.61
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	Prediction Confidence Score 0.049 Applicability Domain 0.054 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 130 E-value 7784.53
Click to view 3D structure	Heat shock 70 kDa protein 1A	P0DMV8	Humans	Predicted (SEA)	Prediction Confidence Score 0.049 Applicability Domain 0.054 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 19 E-value 7782.98
Click to view 3D structure	Anthrax toxin receptor 2	P58335	Humans	Predicted (SEA)	Prediction Confidence Score 0.048 Applicability Domain 0.049 Low confidence Statistical Significance 0.9727 Supporting Reference Compounds 3 E-value 7572.32
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.048 Applicability Domain 0.063 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 241 E-value 7784.61
Click to view 3D structure	Sphingosine-1-phosphate transporter SPNS2	Q91VM4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.048 Applicability Domain 0.048 Low confidence Statistical Significance 0.9756 Supporting Reference Compounds 1 E-value 7595.36
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.046 Applicability Domain 0.051 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 406 E-value 7784.69
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.046 Applicability Domain 0.049 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 108 E-value 7784.69
Click to view 3D structure	Endopolygalactyuronase	P79074	Chondrostereum purpureum	Predicted (SEA)	Prediction Confidence Score 0.045 Applicability Domain 0.045 Low confidence Statistical Significance 0.7113 Supporting Reference Compounds 1 E-value 5537.65
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.045 Applicability Domain 0.061 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 593 E-value 7784.69
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.045 Applicability Domain 0.051 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 315 E-value 7784.69
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.045 Applicability Domain 0.061 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 380 E-value 7784.61
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.045 Applicability Domain 0.061 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 506 E-value 7784.61
Click to view 3D structure	NS3	A3EZJ3	Hepatitis C virus	Predicted (SEA)	Prediction Confidence Score 0.045 Applicability Domain 0.049 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 70 E-value 7784.53
Click to view 3D structure	Aldehyde dehydrogenase, mitochondrial	P05091	Humans	Predicted (SEA)	Prediction Confidence Score 0.044 Applicability Domain 0.074 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 24 E-value 7784.38
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.044 Applicability Domain 0.061 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 451 E-value 7784.69
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.044 Applicability Domain 0.05 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 332 E-value 7784.69
Click to view 3D structure	Dipeptidyl peptidase 1	P53634	Humans	Predicted (SEA)	Prediction Confidence Score 0.044 Applicability Domain 0.049 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 44 E-value 7784.61
Click to view 3D structure	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform	P42336	Humans	Predicted (SEA)	Prediction Confidence Score 0.044 Applicability Domain 0.048 Low confidence Statistical Significance 1.0 Supporting Reference Compounds 536 E-value 7784.69
Click to view 3D structure	G1/S-specific cyclin-D1	P24385	Humans	Known	Not Available
Click to view 3D structure	Mitogen-activated protein kinase 3	P27361	Humans	Known	Not Available
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Known	Not Available
Click to view 3D structure	Transcription factor Jun	P05412	Humans	Known	Not Available
Click to view 3D structure	Inhibitor of nuclear factor kappa-B kinase subunit beta	O14920	Humans	Known	Not Available
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Known	Not Available
Click to view 3D structure	Actin, alpha skeletal muscle	P68133	Humans	Known	Arsenic binds to actin. (A16)
Click to view 3D structure	Actin, aortic smooth muscle	P62736	Humans	Known	Arsenic binds to actin. (A16)
Click to view 3D structure	Actin, cytoplasmic 1	P60709	Humans	Known	Arsenic binds to actin. (A16)
Click to view 3D structure	Actin, cytoplasmic 2	P63261	Humans	Known	Arsenic binds to actin. (A16)
Click to view 3D structure	Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial	P10515	Humans	Known	Arsenic disrupts ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. (T1)
Click to view 3D structure	Estrogen receptor	P03372	Humans	Known	Arsenic binds to the estrogen receptor. (A17)
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Known	Arsenic binds to the glucocorticoid receptor. (A17)
Click to view 3D structure	Glutathione reductase, mitochondrial	P00390	Humans	Known	Arsenic binds glutathione reductase, which results in the inhibition of essential biochemical reactions, alteration of cellular redox status, and eventual cytotoxicity. (L2)
Click to view 3D structure	Hemoglobin subunit alpha	P69905	Humans	Known	Arsenic binds to hemoglobin. (A15)
Click to view 3D structure	Hemoglobin subunit beta	P68871	Humans	Known	Arsenic binds to hemoglobin. (A15)
Click to view 3D structure	Kelch-like ECH-associated protein 1	Q14145	Humans	Known	Arsenic binds to kelch-like ECH-associated protein 1. (A17)
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Known	Arsenic binding of PARP-1 is believed to induce carcinogenesis by affecting DNA repair. (A17)
Click to view 3D structure	Protein PML	P29590	Humans	Known	Not Available
Click to view 3D structure	Tubulin-like protein alpha-4B	Q9H853	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial	P08559	Humans	Known	Arsenic disrupts ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. (T1)
Click to view 3D structure	Pyruvate dehydrogenase E1 component subunit alpha, testis-specific form, mitochondrial	P29803	Humans	Known	Arsenic disrupts ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. (T1)
Click to view 3D structure	Pyruvate dehydrogenase E1 component subunit beta, mitochondrial	P11177	Humans	Known	Arsenic disrupts ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. (T1)
Click to view 3D structure	Thioredoxin reductase 1, cytoplasmic	Q16881	Humans	Known	Arsenic binds thioredoxin reductase, which results in the inhibition of essential biochemical reactions, alteration of cellular redox status, and eventual cytotoxicity. (L2)
Click to view 3D structure	Thioredoxin reductase 2, mitochondrial	Q9NNW7	Humans	Known	Arsenic binds thioredoxin reductase, which results in the inhibition of essential biochemical reactions, alteration of cellular redox status, and eventual cytotoxicity. (L2)
Click to view 3D structure	Tubulin alpha-1A chain	Q71U36	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin alpha-1B chain	P68363	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin alpha-1C chain	Q9BQE3	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin alpha-3E chain	Q6PEY2	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin alpha-4A chain	P68366	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin alpha-8 chain	Q9NY65	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta chain	P07437	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-1 chain	Q9H4B7	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-2A chain	Q13885	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-2B chain	Q9BVA1	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-3 chain	Q13509	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-4A chain	P04350	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-4B chain	P68371	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)
Click to view 3D structure	Tubulin beta-6 chain	Q9BUF5	Humans	Known	Arsenic's carginogenicity is believed to be caused by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. (A17)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0015300

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Arsenic trioxide

Chemspider ID

452539

ChEBI ID

Not Available

PubChem Compound ID

518740

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Link

General References

Naranmandura H, Suzuki KT: Identification of the major arsenic-binding protein in rat plasma as the ternary dimethylarsinous-hemoglobin-haptoglobin complex. Chem Res Toxicol. 2008 Mar;21(3):678-85. doi: 10.1021/tx700383g. Epub 2008 Feb 2. [PubMed: 18247522]
Menzel DB, Hamadeh HK, Lee E, Meacher DM, Said V, Rasmussen RE, Greene H, Roth RN: Arsenic binding proteins from human lymphoblastoid cells. Toxicol Lett. 1999 Mar 29;105(2):89-101. [PubMed: 10221271]
Kitchin KT, Wallace K: The role of protein binding of trivalent arsenicals in arsenic carcinogenesis and toxicity. J Inorg Biochem. 2008 Mar;102(3):532-9. doi: 10.1016/j.jinorgbio.2007.10.021. Epub 2007 Nov 22. [PubMed: 18164070]
Lu J, Chew EH, Holmgren A: Targeting thioredoxin reductase is a basis for cancer therapy by arsenic trioxide. Proc Natl Acad Sci U S A. 2007 Jul 24;104(30):12288-93. Epub 2007 Jul 18. [PubMed: 17640917]
ATSDR - Agency for Toxic Substances and Disease Registry (2007). Toxicological profile for arsenic. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). - http://www.atsdr.cdc.gov/toxprofiles/tp2.html
Wikipedia. Arsenic toxicity. Last Updated 22 February 2009. - http://en.wikipedia.org/wiki/Arsenic_toxicity
Wikipedia. Metallothionein. Last Updated 20 December 2008. - http://en.wikipedia.org/wiki/Metallothionein
ATSDR - Agency for Toxic Substances and Disease Registry (2001). Minimal Risk Levels (MRLs) for Hazardous Substances. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). - http://www.atsdr.cdc.gov/mrls/
International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. - http://monographs.iarc.fr/index.php
Wikipedia. Arsenic trioxide. Last Updated 21 May 2009. - http://en.wikipedia.org/wiki/Arsenic_trioxide
Klaassen C and Watkins J (2003). Casarett and Doull's Essentials of Toxicology. New York, NY: McGraw-Hill.
Lewis RJ (1996). Sax's Dangerous Properties of Industrial Materials. 9th ed. Volumes 1-3. New York, NY: Van Nostrand Reinhold.
Baselt RC (2000). Disposition of Toxic Drugs and Chemicals in Man, 5th ed. Foster City, CA: Chemical Toxicology Institute.

Arsenic trioxide (CED0002425)

Structure for CHEM000196: Arsenic trioxide

Structure