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Nilotinib-[d6]

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General Information
Catalog: BLP-012481
CAS: 1268356-17-7
Molecular Formula: C28H16D6F3N7O
Molecular Weight: 535.55

Chemical Structure

Description	Nilotinib-[d6] is the Labelled analog of Nilotinib, which may be used to treat chronic myelogenous leukemia. Nilotinib is a Bcr-Abl inhibitor with IC50 less than 30 nM.
Synonyms	Nilotinib D6; 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide-d6
IUPAC Name	2,3,6-trideuterio-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-4-(trideuteriomethyl)benzamide
Related CAS	641571-10-0 (unlabelled)
Canonical 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
InChI	InChI=1S/C28H22F3N7O/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)/i1D3,5D,6D,10D
InChI Key	HHZIURLSWUIHRB-AGINCAKFSA-N
Melting Point	>187°C (dec.)
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	Off-white to Pale Yellow Solid
Storage	Store at -20°C