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Ponatinib-[d8]

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General Information
Catalog: BLP-012529
CAS: 1562993-37-6
Molecular Formula: C29H19D8F3N6O
Molecular Weight: 540.61

Chemical Structure

Description	Ponatinib-[d8] is the labelled analogue of Ponatinib, which is a novel, potent multi-target inhibitor of Abl, PDGFRα, VEGFR2, FGFR1 and Src with IC50 of 0. 37 nM, 1. 1 nM, 1. 5 nM, 2. 2 nM and 5. 4 nM, respectively.
Synonyms	Ponatinib D8; 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)methyl]-3-(trifluoromethyl)phenyl]-benzamide
IUPAC Name	3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Related CAS	943319-70-8 (unlabelled)
Canonical SMILES	CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5
InChI	InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)/i12D2,13D2,14D2,15D2
InChI Key	PHXJVRSECIGDHY-DHNBGMNGSA-N
Purity	95% by HPLC; 95% atom D
Density	1.3±0.1 g/cm3