Defactinib HCl

Description: Defactinib HCl (formerly known as VS-6063 HCl, PF-04554878 HCl) is a novel, potent, selective, and orally bioactive small molecule inhibitor of the FAK (focal adhesion kinase), it inhibits the phosphorylation of FAK at the Tyr397 site in a time- and dose-dependent manner. FAK is a nonreceptor tyrosine kinase that plays a vital role in many oncogenic pathways. Increased FAK expression has been reported in a number of tumor types, including breast, colon, and ovarian cancers. Therefore, as an inhibitor of FAK, defactinib has potential antineoplastic activities. Defactinib inhibits FAK which may prevent the integrin-mediated activation of several downstream signal transduction pathways, including ERK, JNK/MAPK and PI3K/Akt, thus inhibiting tumor cell migration, proliferation and survival.

References: J Natl Cancer Inst. 2013 Oct 2; 105(19):1485-95; Oncotarget. 2014 Sep 15; 5(17):7945-59.

Related CAS: 1073154-85-4 (free base); 1345713-71-4

Chemical Name: N-Methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide monohydrochloride

InChi Key: RCHQNUQAHJNRBY-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H21F3N8O3S.ClH/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); 1H

SMILES Code: O=C(NC)C1=CC=C(NC2=NC=C(C(F)(F)F)C(NCC3=NC=CN=C3N(C)S(=O)(C)=O)=N2)C=C1.[H]Cl