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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C28H22F3N7O·HCl·H2O
CAS Number:
923288-90-8
Molecular Weight:
583.99
UNSPSC Code:
12352200
NACRES:
NA.21

Key Documents

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Product Name

Nilotinib hydrochloride hydrate, ≥98% (HPLC)

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

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

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

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

Disclaimer

Hygroscopic

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Warning

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000276109
0000276108
0000262279
0000276109
0000276108

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Characterization of AMN107, a selective inhibitor of native and mutant Bcr-Abl
Cancer Cell, 7(2), 129-141 (2005)
Tomer Meirson et al.
Oncotarget, 9(31), 22158-22183 (2018-05-19)
Metastatic dissemination of cancer cells from the primary tumor and their spread to distant sites in the body is the leading cause of mortality in breast cancer patients. While researchers have identified treatments that shrink or slow metastatic tumors, no
Livia La Barbera et al.
Progress in neurobiology, 202, 102031-102031 (2021-03-09)
What happens precociously to the brain destined to develop Alzheimer's Disease (AD) still remains to be elucidated and this is one reason why effective AD treatments are missing. Recent experimental and clinical studies indicate that the degeneration of the dopaminergic

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