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Dasatinib-[d8]

General Information
Catalog: BLP-012300
CAS: 1132093-70-9
Molecular Formula: C22H18D8ClN7O2S
Molecular Weight: 496.05
Chemical Structure
Dasatinib-[d8]
Description Dasatinib-[d8] is an isotope labelled Dasatinib. Dasatinib is a Bcr-Abl and Src family tyrosine kinase inhibitor approved for the treatment of chronic myelogenous leukemia and Philadelphia chromosome-positive acute lymphoblastic leukemia.
Synonyms Dasatinib D8
IUPAC Name N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-[2,2,3,3,5,5,6,6-octadeuterio-4-(2-hydroxyethyl)piperazin-1-yl]pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Related CAS 302962-49-8 (unlabelled)
Isomeric SMILES [2H]C1(C(N(C(C(N1CCO)([2H])[2H])([2H])[2H])C2=NC(=NC(=C2)NC3=NC=C(S3)C(=O)NC4=C(C=CC=C4Cl)C)C)([2H])[2H])[2H]
Canonical SMILES OCCN(C([2H])([2H])C1([2H])[2H])C([2H])([2H])C([2H])([2H])N1C2=CC(NC3=NC=C(C(NC4=C(Cl)C=CC=C4C)=O)S3)=NC(C)=N2
InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)/i6D2,7D2,8D2,9D2
InChI Key ZBNZXTGUTAYRHI-COMRDEPKSA-N
Melting Point 259-262°C (dec.)
Purity 98% by HPLC; 98% atom D
Density 1.4±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Off-White to Light Tan Solid
Storage Store at -20°C

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