3-hydroxy-4-[(2-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid (CED0275955)

Record Information
Version1.0
Creation Date2026-08-30 03:01:13 UTC
Update Date2026-08-30 03:01:13 UTC
Accession NumberCHEM321209
Identification
Common Name3-hydroxy-4-[(2-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid
ClassSmall Molecule
Description
3-hydroxy-4-[(2-sulfonaphthalen-1-yl)diazenyl]naphthalene-2-carboxylic acid is a chemical compound with the formula C21H14N2O6S. It has an average molecular weight of 422.40 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H14N2O6S
Average Molecular MassNot Available
Monoisotopic Mass422.057 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)S(=O)(=O)O
InChI IdentifierInChI=1S/C21H14N2O6S/c24-20-16(21(25)26)11-13-6-2-4-8-15(13)19(20)23-22-18-14-7-3-1-5-12(14)9-10-17(18)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)
InChI KeyOCFMAQIVFZVNGM-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
7734.0Log mg/kg[4300:14000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)0.700643
Beta-lactamase structureClick to view 3D structureBeta-lactamaseP00811Escherichia coli (strain K12)Predicted (SEA)3.11397
Click to view 3D structureATP phosphoribosyltransferaseP9WMN1Mycobacterium tuberculosisPredicted (SEA)1.24559
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)121.523
Small ubiquitin-related modifier 1 structureClick to view 3D structureSmall ubiquitin-related modifier 1P63165HumansPredicted (SEA)43.8291
Sentrin-specific protease 2 structureClick to view 3D structureSentrin-specific protease 2Q9HC62HumansPredicted (SEA)2.88042
Click to view 3D structureInhibitor of growth protein 2Q9H160HumansPredicted (SEA)13.0787
Click to view 3D structureSentrin-specific protease 3Q9H4L4HumansPredicted (SEA)0.700643
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)816.171
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)81.5081
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)430.895
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)547.28
Tyrosine-protein phosphatase non-receptor type 11 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 11Q06124HumansPredicted (SEA)74.891
Casein kinase II subunit alpha structureClick to view 3D structureCasein kinase II subunit alphaP68400HumansPredicted (SEA)915.507
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)442.884
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)275.431
Alpha-(1,6)-fucosyltransferase structureClick to view 3D structureAlpha-(1,6)-fucosyltransferaseQ9BYC5HumansPredicted (SEA)0.544945
Click to view 3D structureAcetolactate synthaseQ8S3J0Bromus tectorumPredicted (SEA)6.30579
Cytochrome P450 1A1 structureClick to view 3D structureCytochrome P450 1A1P04798HumansPredicted (SEA)78.3942
Cytochrome P450 1B1 structureClick to view 3D structureCytochrome P450 1B1Q16678HumansPredicted (SEA)103.228
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)225.607
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)229.422
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)444.753
Click to view 3D structureLL-diaminopimelate aminotransferase, chloroplasticQ93ZN9Arabidopsis thalianaPredicted (SEA)22.1092
Broad substrate specificity ATP-binding cassette transporter ABCG2 structureClick to view 3D structureBroad substrate specificity ATP-binding cassette transporter ABCG2Q9UNQ0HumansPredicted (SEA)260.873
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available