Regorafenib (Pyridine)-N-oxide-d3

• CAT Number: R024102
• CAS Number: 1333489-03-4
• Molecular Formula: C21H15ClF4N4O4
• Molecular Weight: 501.837
• Purity: ≥95%
• Synonyms: 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-2-pyridinecarboxamide 1-Oxide-d3
• Target: Metabolic Enzyme/Protease
• Storage: Desiccate at RT
• IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-oxido-N-(trideuteriomethyl)pyridin-1-ium-2-carboxamide
• InChI: InChI=1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32)/i1D3
• InChIKey: NUCXNEKIESREQY-FIBGUPNXSA-N
• SMILES: CNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F)[O-]

Regorafenib (Pyridine)-N-oxide-d3 is a deuterated form of the N-oxide metabolite of regorafenib, where three hydrogen atoms in the pyridine ring are replaced with deuterium. Regorafenib is a multikinase inhibitor used to treat certain cancers, including metastatic colorectal cancer and gastrointestinal stromal tumors. The deuterium labeling in this compound allows for precise tracking and analysis in pharmacokinetic and metabolic studies using mass spectrometry. It helps researchers better understand the drug’s metabolism, distribution, and excretion, aiding in the optimization of its therapeutic efficacy and safety.