SML3841

Nilotinib hydrochloride hydrate

≥98% (HPLC)

• Synonym(s): 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]-benzamide hydrochloride hydrate, Nilotinib monohydrochloride monohydrate
• Empirical Formula (Hill Notation): C₂₈H₂₂F₃N₇O·HCl·H₂O
• CAS Number: 923288-90-8
• Molecular Weight: 583.99
• UNSPSC Code: 12352200
• NACRES: NA.21
• Assay: ≥98% (HPLC)
• Form: powder
• Storage condition: desiccated

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: FC(F)(C1=CC(NC(C2=CC=C(C(NC3=NC=CC(C4=CN=CC=C4)=N3)=C2)C)=O)=CC(N5C=NC(C)=C5)=C1)F.Cl.O
• 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

Description

Biochem/physiol Actions

Nilotinib hydrochloride hydrate is an orally available, selective and potent ATP-competitive wild-type and mutant Bcr-Abl kinase inhibitor that is 10-30-fold more potent than imatinib. Nilotinib is used to treat Philadelphia chromosome (Ph+)-positive chronic myelogenous leukemia (CML). Nilotinib reduces midbrain Bcr-Abl autophosphorylation, amyloid-β levels, and neuronal loss, as well as improves autophagosome clearance and reverses cognitive deficits in the Tg2576 transgenic mouse model of Alzheimer’s disease.

Orally available, selective and potent ATP-competitive wild-type and mutant Bcr-Abl kinase inhibitor

Disclaimer

Hygroscopic

Safety Information

• Pictograms: GHS08,GHS09
• Signal Word: Warning
• Hazard Codes: H361d,H410
• Precautionary Statements: P202 - P273 - P280 - P308 + P313 - P391 - P405
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2
• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable