Imatinib D4

• CAT Number: I017480
• CAS Number: 1134803-16-9
• Molecular Formula: C₂₉H₂₇D₄N₇O
• Molecular Weight: 497.63
• Purity: ≥95%
• Target: Anti-infection
• Storage: Store at -20°C
• IUPAC Name: 2,3,5,6-tetradeuterio-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• InChI: InChI=1S/C29H31N7O/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/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)/i6D,7D,8D,9D
• InChIKey: KTUFNOKKBVMGRW-YKVCKAMESA-N
• 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

Imatinib D4 is a deuterated form of imatinib, a tyrosine kinase inhibitor used to treat certain cancers, including chronic myeloid leukemia (CML) and gastrointestinal stromal tumors (GIST). In this version, four hydrogen atoms are replaced with deuterium. The deuterium labeling in Imatinib D4 allows for precise tracking and analysis in pharmacokinetic and metabolic studies using mass spectrometry. This helps researchers understand the drug’s absorption, distribution, metabolism, and excretion more accurately, aiding in the development of improved cancer therapies and monitoring drug interactions.