Nilotinib monohydrochloride monohydrate

• CAT Number: I005492
• CAS Number: 923288-90-8
• Molecular Formula: C28H25ClF3N7O2
• Molecular Weight: 583.99
• Purity: ≥95%
• Target: Bcr-Abl
• Solubility: DMSO: ≥ 33 mg/mL
• Storage: Store at -20°C
• IC50: < 30 nM
• IUPAC Name: 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;hydrate;hydrochloride
• InChI: InChI=1S/C28H22F3N7O.ClH.H2O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1H;1H2
• InChIKey: YCBPQSYLYYBPDW-UHFFFAOYSA-N
• SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.O.Cl

Nilotinib monohydrochloride monohydrate (Cat.No:I005492) is a pharmaceutical compound used in the treatment of chronic myeloid leukemia (CML). It belongs to the class of tyrosine kinase inhibitors and works by inhibiting the activity of BCR-ABL, an abnormal protein that drives CML. Nilotinib has shown efficacy in managing CML and is often prescribed when other therapies have failed.

Reference

[1]. Weisberg E, et al. Beneficial effects of combining nilotinib and imatinib in preclinical models of BCR-ABL+ leukemias. Blood. 2007 Mar 1;109(5):2112-20.


[2]. Liu Y, et al. Inhibition of PDGF, TGF-β, and Abl signaling and reduction of liver fibrosis by the small molecule Bcr-Abl tyrosine kinase antagonist Nilotinib. J Hepatol. 2011 Sep;55(3):612-25. 


[3]. Weisberg E, et al. Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl. Cancer Cell. 2005 Feb;7(2):129-41.