6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid (CED0272116)

Record Information

Version

1.0

Creation Date

2026-08-29 20:51:02 UTC

Update Date

2026-08-29 20:51:02 UTC

Accession Number

CHEM317288

Identification

Common Name

6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid

Class

Small Molecule

Description

6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is a chemical compound with the formula C20H19N3O11S3. With an average molecular weight of 573.60 g/mol, 6-acetamido-4-hydroxy-3-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2-sulfonic acid is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₀H₁₉N₃O₁₁S₃

Average Molecular Mass

Not Available

Monoisotopic Mass

573.018 g/mol

CAS Registry Number

27761-75-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(=O)NC1=CC2=C(C(=C(C=C2C=C1)S(=O)(=O)O)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)O

InChI Identifier

InChI=1S/C20H19N3O11S3/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33)

InChI Key

INOIOAWTVPHTCJ-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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
7419.0	Log mg/kg	[4200:13000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
633	Azo Dyes	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
641	Foam Dyeing	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available
662	Yarns Or Threads	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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	Alpha-(1,6)-fucosyltransferase	Q9BYC5	Humans	Predicted (SEA)	0.311397
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	58.1534
Click to view 3D structure	PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	P96878	Mycobacterium tuberculosis	Predicted (SEA)	71.5434
Click to view 3D structure	Protein arginine N-methyltransferase 1	Q99873	Humans	Predicted (SEA)	39.9366
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	92.1735
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	787.523
Click to view 3D structure	Inhibitor of growth protein 2	Q9H160	Humans	Predicted (SEA)	29.6606
Click to view 3D structure	Sentrin-specific protease 7	Q9BQF6	Humans	Predicted (SEA)	325.41
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	724.698
Click to view 3D structure	Sentrin-specific protease 2	Q9HC62	Humans	Predicted (SEA)	13.935
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	578.264
Click to view 3D structure	Beta-adrenergic receptor kinase 1	P25098	Humans	Predicted (SEA)	204.743
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	232.224
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	196.024
Click to view 3D structure	P2X purinoceptor 1	P47824	Rattus norvegicus	Predicted (SEA)	25.4567
Click to view 3D structure	P2X purinoceptor 2	P49653	Rattus norvegicus	Predicted (SEA)	55.1951
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	361.532
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	501.972
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	1233.91
Click to view 3D structure	Small ubiquitin-related modifier 1	P63165	Humans	Predicted (SEA)	304.935
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	1228.62
Click to view 3D structure	Sentrin-specific protease 3	Q9H4L4	Humans	Predicted (SEA)	1.40129
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	1604.63
Click to view 3D structure	Amine oxidase [flavin-containing] A	Q6Q2J0	Sus scrofa	Predicted (SEA)	56.2071
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	348.998