Bafetinib

For research use only, not for therapeutic use.

  • CAT Number: I005159
  • CAS Number: 859212-16-1
  • Molecular Formula: C₃₀H₃₁F₃N₈O
  • Molecular Weight: 576.62
  • Purity: ≥95%
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Bafetinib(Cat No.:I005159)is a second-generation tyrosine kinase inhibitor (TKI) that selectively targets BCR-ABL and Lyn kinases, both of which play crucial roles in the progression of chronic myeloid leukemia (CML) and acute lymphoblastic leukemia (ALL). Bafetinib is particularly effective against BCR-ABL mutations that are resistant to first-generation TKIs like imatinib. Its inhibition of Lyn kinase also makes it valuable in studying diseases where aberrant Lyn signaling is implicated. Bafetinib offers a promising therapeutic option for patients with TKI-resistant CML and contributes to the development of more effective leukemia treatments.


Catalog Number I005159
CAS Number 859212-16-1
Synonyms

INNO-406;NS-187

Molecular Formula C₃₀H₃₁F₃N₈O
Purity ≥95%
Target Bcr-Abl/Lyn
Solubility DMSO: ≥ 42 mg/mL
Storage 3 years -20℃ powder
IC50 5.8 nM/19 nM
IUPAC Name 4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
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
InChIKey ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
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
Reference

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<br>[1]. Grace MS, et al. The tyrosine kinase inhibitor bafetinib inhibits PAR2-induced activation of TRPV4 channels in vitro and pain in vivo. Br J Pharmacol. 2014 Aug;171(16):3881-3894.
<br>[2]. Kimura S, et al. NS-187, a potent and selective dual Bcr-Abl/Lyn tyrosine kinase inhibitor, is a novel agent for imatinib-resistant leukemia. Blood. 2005 Dec 1;106(12):3948-3954.
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