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Substance Name: Dacomitinib [USAN:INN]
RN: 1110813-31-4
UNII: 2XJX250C20
InChIKey: LVXJQMNHJWSHET-AATRIKPKSA-N

Note

  • A pan-ERBB inhibitor.

    NCI: An orally bioavailable, highly selective, second-generation small-molecule inhibitor of the pan-epidermal growth factor receptor (EGFR) family of tyrosine kinases (ErbB family) with potential antineoplastic activity. Dacomitinib specifically and irreversibly binds to and inhibits human EGFR subtypes, resulting in inhibition of proliferation and induction of apoptosis in EGFR-expressing tumor cells. EGFRs play major roles in tumor cell proliferation and tumor vascularization, and are often overexpressed or mutated in various tumor cell types. (NCI Thesaurus)

Molecular Formula

  • C24-H25-Cl-F-N5-O2

Molecular Weight

  • 469.9455
 
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Names and Synonyms

Name of Substance

  • Dacomitinib [USAN:INN]

Synonyms

  • Dacomitinib
  • PF 00299804-03
  • PF-00299804-03
  • UNII-2XJX250C20

Systematic Name

  • 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2E)-

Registry Numbers

CAS Registry Number

  • 1110813-31-4

FDA UNII

  • 2XJX250C20

Other Registry Number

  • 1006885-28-4

System Generated Number

  • 1110813314

Structure Descriptors

InChI

1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+

InChIKey

LVXJQMNHJWSHET-AATRIKPKSA-N

Smiles

c1c(c(cc2c1ncnc2Nc1ccc(c(c1)Cl)F)NC(=O)/C=C/CN1CCCCC1)OC