Nilotinib monohydrochloride monohydrate

• CAT Number: I005492
• CAS Number: 923288-90-8
• Molecular Formula: C28H25ClF3N7O2
• Molecular Weight: 583.99
• Purity: ≥95%
• Synonyms: AMN-107
• 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 selective tyrosine kinase inhibitor, specifically targeting the BCR-ABL fusion protein, which is associated with chronic myeloid leukemia (CML). By inhibiting the abnormal signaling caused by the BCR-ABL gene mutation, it helps reduce cancer cell proliferation and survival. This compound is effective in patients with imatinib-resistant or -intolerant CML and is an essential tool in leukemia research. Nilotinib’s role in targeting tyrosine kinases also makes it valuable for studying various other cancers where kinase activity drives disease progression.

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.