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N-Desmethyl Imatinib-[d8]

General Information
Catalog: BLP-009648
CAS: 1185103-28-9
Molecular Formula: C28H21D8N7O
Molecular Weight: 487.64
Chemical Structure
N-Desmethyl Imatinib-[d8]
Catalog Number Size Price Stock Quantity
BLP-009648 5 mg $1099 In stock
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Description N-Desmethyl Imatinib-[d8] is a deuterated metabolite of gleevec, a tyrosine kinase inhibitor specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL).
Synonyms N-Desmethyl Imatinib D8; N-Desmethyl Gleevec-d8
IUPAC Name N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-[(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)methyl]benzamide
Related CAS 404844-02-6 (unlabelled)
Isomeric SMILES [2H]C1(C(N(C(C(N1)([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]
Canonical SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)/i13D2,14D2,15D2,16D2
InChI Key BQQYXPHRXIZMDM-DBVREXLBSA-N
Melting Point 97-103°C
Purity ≥96% by HPLC; ≥98% atom D
Solubility Soluble in Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
Appearance Yellow Solid
Storage Store at -20°C

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