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Substance Name: Defactinib [USAN:INN]
RN: 1073154-85-4
UNII: 53O87HA2QU
InChIKey: FWLMVFUGMHIOAA-UHFFFAOYSA-N

Note

  • NCI: An orally bioavailable, small-molecule focal adhesion kinase (FAK) inhibitor with potential antiangiogenic and antineoplastic activities. Defactinib inhibits FAK, which may prevent the integrin-mediated activation of several downstream signal transduction pathways, including those involving RAS/MEK/ERK and PI3K/Akt, thus inhibiting tumor cell migration, proliferation, survival, and tumor angiogenesis. The tyrosine kinase FAK, a signal transducer for integrins, is normally activated by binding to integrins in the extracellular matrix (ECM) but may be upregulated and constitutively activated in various tumor cell types. (NCI Thesaurus)

Molecular Formula

  • C20-H21-F3-N8-O3-S

Molecular Weight

  • 510.4989
 

Classification Code

  • Antineoplastic
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Names and Synonyms

Name of Substance

  • Defactinib [USAN:INN]

Synonyms

  • Defactinib
  • N-Methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide
  • PF-04554878
  • UNII-53O87HA2QU
  • VS-6063

Systematic Name

  • Benzamide, N-methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)-2-pyrazinyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-

Registry Numbers

CAS Registry Number

  • 1073154-85-4

FDA UNII

  • 53O87HA2QU

System Generated Number

  • 1073154854

Structure Descriptors

InChI

1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)

InChIKey

FWLMVFUGMHIOAA-UHFFFAOYSA-N

Smiles

CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F