Nilotinib (hydrochloride hydrate)

Nilotinib is an inhibitor of wild-type and mutant Bcr-Abl (IC50s = 15 and 9-400 nM, respectively). It is selective for wild-type and mutant Bcr-Abl over Src and LYN (IC50s = >5,000 nM for both). Nilotinib inhibits Bcr-Abl autophosphorylation and cell proliferation in Ba/F3 cells expressing wild-type or mutant Bcr-Abl (IC50s = 7-155 and 13-51 nM, respectively). In vivo, nilotinib (1 mg/kg) reduces midbrain Bcr-Abl autophosphorylation, amyloid-beta levels, and neuronal loss, as well as improves autophagosome clearance and reverses cognitive deficits in the Tg2576 transgenic mouse model of Alzheimer's disease. It also reduces serum creatine levels, renal profibrotic gene expression, and tubulointerstitial damage, as well as increases survival in a rat model of 5/6 nephrectomy-induced chronic kidney disease. Formulations containing nilotinib have been used in the treatment of leukemia.Formal Name: 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide, monohydrochloride, monohydrate. CAS Number: 923288-90-8. Molecular Formula: C28H22F3N7O . HCl [H2O]. Formula Weight: 584.0. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 2 mg/ml, DMSO: 3 mg/ml, Ethanol: 1 mg/ml. lambdamax: 271 nm. SMILES: O=C(C1=CC=C(C)C(NC2=NC=CC(C3=CN=CC=C3)=N2)=C1)NC4=CC(C(F)(F)F)=CC(N5C=NC(C)=C5)=C4.Cl.O. InChi Code: 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. InChi Key: YCBPQSYLYYBPDW-UHFFFAOYSA-N.