N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide (CED0280857)

Record Information
Version1.0
Creation Date2026-08-30 10:48:35 UTC
Update Date2026-08-30 10:48:35 UTC
Accession NumberCHEM326200
Identification
Common NameN-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide
ClassSmall Molecule
Description
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)-2-methylbenzenesulfonamide is a chemical compound with the formula C22H18N2O5S. It has an average molecular weight of 422.50 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC22H18N2O5S
Average Molecular MassNot Available
Monoisotopic Mass422.094 g/mol
CAS Registry Number71598-18-0
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CC=CC=C1S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)OC
InChI IdentifierInChI=1S/C22H18N2O5S/c1-12-7-3-6-10-17(12)30(27,28)24-15-11-16(29-2)20(23)19-18(15)21(25)13-8-4-5-9-14(13)22(19)26/h3-11,24H,23H2,1-2H3
InChI KeyUGHBZPJHDFVKTC-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
8716.0Log mg/kg[4900:15000]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
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)4.43741
P2X purinoceptor 4 structureClick to view 3D structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)2.25763
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)2.72472
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)11.7552
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)2.88042
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)6.22794
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)21.9535
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)8.17417
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)5.29375
Click to view 3D structureP2Y purinoceptor 2P35383Mus musculusPredicted (SEA)1.01204
Click to view 3D structureNucleoside triphosphate diphosphohydrolase 3A6I415Rattus norvegicusPredicted (SEA)1.08989
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)5.2159
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)32.0739
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)535.369
Peregrin structureClick to view 3D structurePeregrinP55201HumansPredicted (SEA)17.4382
Bromodomain-containing protein 1 structureClick to view 3D structureBromodomain-containing protein 1O95696HumansPredicted (SEA)8.64126
Bromodomain and PHD finger-containing protein 3 structureClick to view 3D structureBromodomain and PHD finger-containing protein 3Q9ULD4HumansPredicted (SEA)10.2761
Transcription intermediary factor 1-alpha structureClick to view 3D structureTranscription intermediary factor 1-alphaO15164HumansPredicted (SEA)10.7432
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)162.783
Bromodomain-containing protein 4 structureClick to view 3D structureBromodomain-containing protein 4O60885HumansPredicted (SEA)187.072
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)961.516
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)19.1509
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)244.524
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)265.077
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)1365.01
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available