2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid (CED0271606)

Record Information

Version

1.0

Creation Date

2026-08-29 20:01:59 UTC

Update Date

2026-08-29 20:01:59 UTC

SynCED ID

CED0271606

Secondary Accession Numbers

CHEM316770

Identification

Common Name

2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid

Class

Small Molecule

Description

2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid is a chemical compound with the formula C20H16N8O6S2. With an average molecular weight of 528.50 g/mol, 2-[2-[2-sulfo-4-(1,3,5-triazin-2-ylamino)phenyl]ethenyl]-5-(1,3,5-triazin-2-ylamino)benzenesulfonic acid is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₁₆N₈O₆S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

528.063 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=C(C=C1NC2=NC=NC=N2)S(=O)(=O)O)C=CC3=C(C=C(C=C3)NC4=NC=NC=N4)S(=O)(=O)O

InChI Identifier

InChI=1S/C20H16N8O6S2/c29-35(30,31)17-7-15(27-19-23-9-21-10-24-19)5-3-13(17)1-2-14-4-6-16(8-18(14)36(32,33)34)28-20-25-11-22-12-26-20/h1-12H,(H,29,30,31)(H,32,33,34)(H,21,23,24,27)(H,22,25,26,28)

InChI Key

KRMMOHWZHDVMBQ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
6658.0 Log mg/kg [3700:12000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	Not Available
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	Not Available
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	Not Available
CEDs000631	Anthraquinone Dyes?Anthraquinone dyes are a class of synthetic organic compounds characterized by their vibrant colors and stability, making them widely used in various applications, particularly in coloring textiles and leather.	Textiles, leather & furnishings	Not Available
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	Not Available
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	Not Available
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	Not Available
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	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.27 Low confidence Statistical Significance 0.2911 Supporting Reference Compounds 1301 E-value 2266.11
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.27 Low confidence Statistical Significance 0.2616 Supporting Reference Compounds 1158 E-value 2036.54
Click to view 3D structure	Lymphotoxin-alpha	P01374	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.264 Low confidence Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	Alpha-(1,6)-fucosyltransferase	Q9BYC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.26 Low confidence Statistical Significance 1.20e-04 Supporting Reference Compounds 1 E-value 0.934191
Click to view 3D structure	Tyrosine-protein kinase Fyn	P06241	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.27 Low confidence Statistical Significance 0.2604 Supporting Reference Compounds 707 E-value 2027.12
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.266 Low confidence Statistical Significance 0.3162 Supporting Reference Compounds 1029 E-value 2461.75
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.269 Low confidence Statistical Significance 0.2894 Supporting Reference Compounds 798 E-value 2253.27
Click to view 3D structure	Tyrosine-protein kinase Blk	P51451	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.269 Low confidence Statistical Significance 0.2291 Supporting Reference Compounds 550 E-value 1783.37
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.266 Low confidence Statistical Significance 0.3673 Supporting Reference Compounds 1157 E-value 2859.64
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.266 Low confidence Statistical Significance 0.3325 Supporting Reference Compounds 961 E-value 2588.18
Click to view 3D structure	P2Y purinoceptor 6	Q15077	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.404 Statistical Significance 0.0038 Supporting Reference Compounds 38 E-value 29.5049
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-2	P04626	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.266 Low confidence Statistical Significance 0.279 Supporting Reference Compounds 674 E-value 2171.84
Click to view 3D structure	Small ubiquitin-related modifier 1	P63165	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.327 Statistical Significance 0.0293 Supporting Reference Compounds 95 E-value 227.865
Click to view 3D structure	Receptor tyrosine-protein kinase erbB-4	Q15303	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.266 Low confidence Statistical Significance 0.2641 Supporting Reference Compounds 591 E-value 2056.08
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.262 Low confidence Statistical Significance 0.4357 Supporting Reference Compounds 1660 E-value 3391.58
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.266 Low confidence Statistical Significance 0.4115 Supporting Reference Compounds 1274 E-value 3203.57
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.266 Low confidence Statistical Significance 0.3674 Supporting Reference Compounds 967 E-value 2860.18
Click to view 3D structure	Calcium/calmodulin-dependent protein kinase type II subunit delta	Q13557	Humans	Predicted (SEA)	Prediction Confidence Score 0.249 Applicability Domain 0.266 Low confidence Statistical Significance 0.2571 Supporting Reference Compounds 506 E-value 2001.81
Click to view 3D structure	Glycogen synthase kinase-3 alpha	P49840	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.26 Low confidence Statistical Significance 0.3486 Supporting Reference Compounds 754 E-value 2713.75
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.266 Low confidence Statistical Significance 0.3432 Supporting Reference Compounds 779 E-value 2672.1
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Q13627	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.3796 Supporting Reference Compounds 906 E-value 2955.31
Click to view 3D structure	Death-associated protein kinase 3	O43293	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.3064 Supporting Reference Compounds 599 E-value 2385.53
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.3449 Supporting Reference Compounds 727 E-value 2684.71
Click to view 3D structure	Dual specificity protein kinase CLK4	Q9HAZ1	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.3448 Supporting Reference Compounds 742 E-value 2684.47
Click to view 3D structure	Cyclin-dependent kinase 9	P50750	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.266 Low confidence Statistical Significance 0.2444 Supporting Reference Compounds 426 E-value 1902.56