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Nilotinib-[d3]

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General Information
Catalog: BLP-012480
CAS: 1215678-43-5
Molecular Formula: C28H19D3F3N7O
Molecular Weight: 532.53

Chemical Structure

Description	Nilotinib-[d3] 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 D3; 4-Methyl-N-{3-[4-(2H3)methyl-1H-imidazol-1-yl]-5-(trifluoromethyl)phenyl}-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide
IUPAC Name	4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-[3-[4-(trideuteriomethyl)imidazol-1-yl]-5-(trifluoromethyl)phenyl]benzamide
Related CAS	641571-10-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])C1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)C(F)(F)F
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)/i2D3
InChI Key	HHZIURLSWUIHRB-BMSJAHLVSA-N
Melting Point	227-230°C
Purity	97%; 98% 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