3-[2-(2-Amino-4,5-dimethoxyphenyl)diazenyl]-4-methoxybenzenesulfonic acid (CED0172939)

Record Information
Version1.0
Creation Date2026-03-27 00:21:32 UTC
Update Date2026-05-20 17:52:06 UTC
Accession NumberCHEM056779
Identification
Common Name3-[2-(2-Amino-4,5-dimethoxyphenyl)diazenyl]-4-methoxybenzenesulfonic acid
ClassSmall Molecule
Description
3-[2-(2-Amino-4,5-dimethoxyphenyl)diazenyl]-4-methoxybenzenesulfonic acid belongs to the azobenzenes, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C15H17N3O6S1 and an average molecular weight of 367.38 g/mol. It has been found in or released from one recorded source: drinking water and water supply (drinking water). The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H17N3O6S1
Average Molecular Mass367.380 g/mol
Monoisotopic Mass367.084 g/mol
CAS Registry Number106483-59-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCOC1=CC=C(C=C1N=NC1=CC(OC)=C(OC)C=C1N)S(O)(=O)=O
InChI IdentifierInChI=1S/C15H17N3O6S/c1-22-13-5-4-9(25(19,20)21)6-12(13)18-17-11-8-15(24-3)14(23-2)7-10(11)16/h4-8H,16H2,1-3H3,(H,19,20,21)
InChI KeyQPXARUUEZQDAGK-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
6215.0Log mg/kg[3500:11000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
115Drinking waterDrinking water & water supplyNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sentrin-specific protease 2 structureClick to view 3D structureSentrin-specific protease 2Q9HC62HumansPredicted (SEA)0.622794
Click to view 3D structureSentrin-specific protease 3Q9H4L4HumansPredicted (SEA)0.311397
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)211.672
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)43.907
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)73.334
Sentrin-specific protease 1 structureClick to view 3D structureSentrin-specific protease 1Q9P0U3HumansPredicted (SEA)3.26967
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)352.112
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)325.176
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)411.822
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)226.853
Click to view 3D structureD(2) dopamine receptorQ9GJU1Canis lupus familiarisPredicted (SEA)20.1629
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)186.371
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)990.086
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)1223.09
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)253.477
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)38.224
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)605.278
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)830.495
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)244.213
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)837.735
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)516.296
Click to view 3D structureCarbonate dehydrataseB2V8E3Sulfurihydrogenibium sp. (strain YO3AOP1)Predicted (SEA)59.3211
Click to view 3D structureCarbonic anhydraseO24855Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)Predicted (SEA)64.3813
Click to view 3D structureCarbonic anhydraseQ6FTL6Candida glabrata CBS 138Predicted (SEA)110.312
Click to view 3D structureAlpha carbonic anhydraseB5SU02Stylophora pistillataPredicted (SEA)59.1654
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available