Bafetinib (INNO-406, NS-187) is a potent, selective, dual Bcr-Abl/Lyn dual inhibitor with an IC50 of 5.8 nM/19 nM in a cell-free assay and has no inhibitory effect on phosphorylation of the T315I mutant. The effect on PDGFR and c-Kit was weak.

 

Brand: BCM

 

Target: Bcr-Abl; Src; Autophagy

 

Signaling Pathways: Angiogenesis; Autophagy; Cytoskeletal Signaling; Tyrosine Kinase/Adaptors

 

In Vitro: Bafetinib blocks WT Bcr-Abl autophosphorylation and its downstream kinase activity with IC50 of 11 nM and 22 nM in K562 and 293T cells, respectively. Bafetinib suppresses the growth of the Bcr-Abl-positive cell lines including K562, KU812, and BaF3/wt cells potently without effects on the proliferation of the Bcr-Abl-negative U937 cell line. Moreover, Bafetinib exhibits a dose-dependent antiproliferative effect against Bcr-Abl point mutant cell lines, such as BaF3/E255K cells. In Bcr-Abl+ leukemia cell lines, Bafetinib induces both caspase-mediated and caspase-independent cell death by blocking the phosphorylation of Bcr-Abl.

 

Melting Point: 166-168°C

 

pKa: 12.72±0.70(Predicted)

 

Solubility: Soluble in DMSO. Insoluble in Water; Insoluble in Ethanol.

 

Isomeric SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CC[C@@H](C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5  

 

InChIKey: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N  

 

InChI: 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

 

Attribute
[CAS No.]	859212-16-1
[Formula]	C30H31F3N8O
[Molecular]	576.62
[Chem Name]	4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
[Storage]	Keep in dark place. Sealed in dry.Store in freezer, under -20°C
[Synonym]	Bafetinib; INNO-406; NS-187
[MDL No.]	MFCD18633200
[Form]	Solid

Goods Tag