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N-Deshydroxyethyl Dasatinib-[d8]

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General Information
Catalog: BLP-013059
CAS: 1189998-96-6
Molecular Formula: C20H14D8ClN7OS
Molecular Weight: 452.00

Chemical Structure

Description	N-Deshydroxyethyl Dasatinib-[d8] is the labelled analogue of N-Deshydroxyethyl Dasatinib, which is a metabolite of Dasatinib.
Synonyms	N-Deshydroxyethyl Dasatinib D8; N-(2-Chloro-6-methylphenyl)-2-[[2-methyl-6-(1-piperazinyl-d8)-4-pyrimidinyl]amino]-5-thiazolecarboxamide; Dasatinib Metabolite M4-d8
IUPAC Name	N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Related CAS	910297-51-7 (unlabelled)
Canonical SMILES	CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCNCC4
InChI	InChI=1S/C20H22ClN7OS/c1-12-4-3-5-14(21)18(12)27-19(29)15-11-23-20(30-15)26-16-10-17(25-13(2)24-16)28-8-6-22-7-9-28/h3-5,10-11,22H,6-9H2,1-2H3,(H,27,29)(H,23,24,25,26)/i6D2,7D2,8D2,9D2
InChI Key	DOBZFFWLHXORTB-COMRDEPKSA-N
Melting Point	>280°C (dec.)
Purity	≥97% by HPLC; ≥98% atom D
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance	Off-White Solid
Storage	Store at 2-8°C