Bafetinib (INNO-406; NS187)

Description: Bafetinib (formerly INNO406; NS-187), an investigational anticancer drug originally developed by Nippon Shinyaku and later licensed to CytRx, is an orally bioavailable dual Bcr-Abl/Lyn inhibitor with potential antineoplastic activity. It inhibits Bcr-Abl/Lyn with IC50s of 5.8 nM/19 nM in cell-free assays. In Bcr-Abl–positive KU812 mouse model, Bafetinib significantly inhibited tumor growth, andcompletely inhibited tumor growth without causing adverse effects at a dose of 20mg/kg/day.

References: Blood. 2005 Dec 1; 106(12):3948-54; Blood. 2007 Jan 1; 109(1):306-14.

Related CAS #: 887650-05-7; 859212-16-1;

Chemical Name: (S)-N-(3-([4, 5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide

InChi Key: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N

InChi Code: InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31, 32)33)16-41-11-9-24(17-41)40(2)3/h4-8, 10, 12-15, 18, 24H, 9, 11, 16-17H2, 1-3H3, (H, 37, 42)(H, 36, 38, 39)/t24-/m0/s1

SMILES Code: O=C(NC1=CC=C(C)C(NC2=NC=CC(C3=CN=CN=C3)=N2)=C1)C4=CC=C(CN5C[CH](N(C)C)CC5)C(C(F)(F)F)=C4