Bafetinib

Bcr-Abl, a fusion protein with deregulated tyrosine kinase activity, is highly expressed in chronic myelogenous leukemia (CML). Bafetinib is a rationally developed tyrosine kinase inhibitor based on the chemical structure of imatinib (Cay-13139), with modifications added to improve binding and potency against Bcr-Abl kinase (IC50 = 5.8 nM). It is 25- to 55-fold more potent than imatinib in vitro and >10-fold more potent in vivo. Bafetinib inhibits 12 out of the 13 most frequent imatinib-resistant Bcr-Abl point mutations, but not the T315I mutation and also targets the Src family kinase Lyn (IC50 = 19 nM), which has been associated with resistance to imatinib in CML.Formal Name: N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-benzamide. CAS Number: 859212-16-1. Synonyms: INNO-406, NS-187. Molecular Formula: C30H31F3N8O. Formula Weight: 576.6. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/ml, DMSO: 15 mg/ml, Ethanol: 25 mg/ml, Ethanol:PBS (pH 7.2) (1:3): 0.25 mg/ml. lambdamax: 232 nm. SMILES: CC1=CC=C(NC(C2=CC=C(CN3CC[C@H](N(C)C)C3)C(C(F)(F)F)=C2)=O)C=C1NC4=NC=CC(C5=CN=CN=C5)=N4. 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. InChi Key: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N.