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Gleevec-[d8] Mesylate

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General Information
Catalog: BLP-006910
CAS: 1092942-83-0
Molecular Formula: C30H27D8N7O4S
Molecular Weight: 597.76

Chemical Structure

Description	Gleevec-[d8] Mesylate (Imatinib-d8 Mesylate) is the isotope labelled analog of Gleevec Mesylate, a deuterated tyrosine kinase inhibitor. It is highly specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia and certain forms of acute lymphoblastic leukemia. It is a COVID-19-related research product.
Synonyms	Imatinib-d8 Mesylate; 4-[(4-Methyl-1-piperazinyl-d8)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide Methanesulfonate; CGP 57148B-d8; Gleevac-d8; Imatinib-d8 Mesilate; Imatinib-d8 Mesylate
IUPAC Name	methanesulfonic acid;N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuterio-4-methylpiperazin-1-yl)methyl]benzamide
Related CAS	220127-57-1 (unlabelled)
Isomeric SMILES	[2H]C1(C(N(C(C(N1C)([2H])[2H])([2H])[2H])CC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5)([2H])[2H])[2H].CS(=O)(=O)O
Canonical SMILES	CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
InChI	InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)/i14D2,15D2,16D2,17D2;
InChI Key	YLMAHDNUQAMNNX-NZEOXOADSA-N
Melting Point	>109°C (dec.)
Purity	95% by CP; 95% atom D
Solubility	Slightly soluble in DMSO, Methanol, Chloroform
Appearance	Pale Beige to Yellow Solid