1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid (CED0276201)

Record Information
Version1.0
Creation Date2026-08-30 03:24:10 UTC
Update Date2026-08-30 03:24:10 UTC
Accession NumberCHEM321459
Identification
Common Name1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid
ClassSmall Molecule
Description
1-amino-4-(4-methyl-2-sulfoanilino)-9,10-dioxoanthracene-2-sulfonic acid is a chemical compound with the formula C21H16N2O8S2. It has an average molecular weight of 488.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC21H16N2O8S2
Average Molecular MassNot Available
Monoisotopic Mass488.035 g/mol
CAS Registry Number6247-36-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CC(=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O)S(=O)(=O)O
InChI IdentifierInChI=1S/C21H16N2O8S2/c1-10-6-7-13(15(8-10)32(26,27)28)23-14-9-16(33(29,30)31)19(22)18-17(14)20(24)11-4-2-3-5-12(11)21(18)25/h2-9,23H,22H2,1H3,(H,26,27,28)(H,29,30,31)
InChI KeyZXJLRDYNAAGYLU-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
5734.0Log mg/kg[3200:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)1.24559
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)1.16774
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)3.58106
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)1.16774
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)6.46149
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)3.89246
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)7.47353
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)2.41333
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)3.58106
Click to view 3D structureNucleoside triphosphate diphosphohydrolase 3A6I415Rattus norvegicusPredicted (SEA)0.934191
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)1.40129
Click to view 3D structureP2Y purinoceptor 2P35383Mus musculusPredicted (SEA)0.856341
Choline O-acetyltransferase structureClick to view 3D structureCholine O-acetyltransferaseP28329HumansPredicted (SEA)0.389246
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)356.16
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)24.0554
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)16.9711
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)91.395
DNA repair nuclease/redox regulator APEX1 structureClick to view 3D structureDNA repair nuclease/redox regulator APEX1P27695HumansPredicted (SEA)0.544945
Click to view 3D structureGag-Pol polyproteinQ7ZJM1Human immunodeficiency virus 1Predicted (SEA)42.6614
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)78.0828
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)78.0828
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)939.407
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)18.8395
Click to view 3D structureP2X purinoceptor 2Q9UBL9HumansPredicted (SEA)32.1517
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)283.838
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available