1,4-Bis[(2,4-diethyl-6-methylphenyl)amino]anthraquinone (CED0192173)

Record Information
Version1.0
Creation Date2026-04-05 06:47:44 UTC
Update Date2026-04-05 06:47:44 UTC
Accession NumberCHEM095220
Identification
Common Name1,4-Bis[(2,4-diethyl-6-methylphenyl)amino]anthraquinone
ClassSmall Molecule
Description
1,4-Bis[(2,4-diethyl-6-methylphenyl)amino]anthraquinone belongs to the anthraquinones, a subclass of anthracenes within the organic compounds. It is classified under the benzenoids superclass and has the chemical formula C36H38N2O2. With an average molecular weight of 530.71 g/mol, 1,4-Bis[(2,4-diethyl-6-methylphenyl)amino]anthraquinone is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC36H38N2O2
Average Molecular Mass530.712 g/mol
Monoisotopic Mass530.293 g/mol
CAS Registry Number79817-56-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC1=CC(CC)=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(NC3=C(CC)C=C(CC)C=C3C)C=C2)C(C)=C1
InChI IdentifierInChI=1/C36H38N2O2/c1-7-23-17-21(5)33(25(9-3)19-23)37-29-15-16-30(38-34-22(6)18-24(8-2)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3
InChI KeyNKAUFZJYJFUFGD-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
4008.0Log mg/kg[2300:7100]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 structureP2X purinoceptor 4P51577Rattus norvegicusPredicted (SEA)5.3716
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)6.61718
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)5.68299
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)7.55137
P2Y purinoceptor 1 structureClick to view 3D structureP2Y purinoceptor 1P47900HumansPredicted (SEA)30.9061
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)9.41976
Click to view 3D structureP2Y purinoceptor 2P41231HumansPredicted (SEA)30.0498
Click to view 3D structure5'-nucleotidaseP21588Rattus norvegicusPredicted (SEA)14.6357
Click to view 3D structureP2Y purinoceptor 6Q63371Rattus norvegicusPredicted (SEA)7.70707
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)20.7079
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)53.716
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)114.672
Apoptotic protease-activating factor 1 structureClick to view 3D structureApoptotic protease-activating factor 1O14727HumansPredicted (SEA)14.3243
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)70.8428
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)71.0763
Click to view 3D structureHexokinase HKDC1Q2TB90HumansPredicted (SEA)15.4141
Click to view 3D structureNucleoside triphosphate diphosphohydrolase 3A6I415Rattus norvegicusPredicted (SEA)1.16774
Tyrosyl-DNA phosphodiesterase 2 structureClick to view 3D structureTyrosyl-DNA phosphodiesterase 2O95551HumansPredicted (SEA)9.18621
Click to view 3D structureP2X purinoceptor 1P47824Rattus norvegicusPredicted (SEA)11.8331
Click to view 3D structureP2Y purinoceptor 2P35383Mus musculusPredicted (SEA)1.08989
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)115.762
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)115.762
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)236.117
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)235.572
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)1345.23
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available