93J

(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide


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Chemical Component Summary

Name(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
Identifiers(~{E})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide
FormulaC24 H23 Cl F N5 O2
Molecular Weight467.923
TypeNON-POLYMER
Isomeric SMILESCCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
InChIInChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
InChIKeyWVUNYSQLFKLYNI-AATRIKPKSA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count0
Bond Count58
Aromatic Bond Count17

Drug Info: DrugBank

DrugBank IDDB05524 
NamePelitinib
Groups investigational
DescriptionPelitinib (EKB-569) is a potent, low molecular weight, selective, and irreversible inhibitor of epidermal growth factor receptor (EGFR) that is being developed as an anticancer agent.
Synonyms
  • (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide
  • Pelitinib
IndicationInvestigated for use/treatment in colorectal cancer and lung cancer.
Categories
  • Amines
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • ErbB Receptors, antagonists & inhibitors
  • Heterocyclic Compounds, Fused-Ring
CAS number257933-82-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Epidermal growth factor receptorMRPSGTAGAALLALLAALCPASRALEEKKVCQGTSNKLTQLGTFEDHFLS...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL607707
PubChem 6445562
ChEMBL CHEMBL607707
ChEBI CHEBI:38927