Sorafenib-d3

• CAT Number: R006046
• CAS Number: 1130115-44-4
• Molecular Formula: C21H16ClF3N4O3
• Molecular Weight: 467.848
• Purity: ≥95%
• Synonyms: 4-[4-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-(methyl-d3)-2-pyridinecarboxamide; BAY-43-9006-d3
• Target: Protein Tyrosine Kinase/RTK
• Storage: -20°C
• IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-(trideuteriomethyl)pyridine-2-carboxamide
• InChI: InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)/i1D3
• InChIKey: MLDQJTXFUGDVEO-FIBGUPNXSA-N
• SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Sorafenib-d3 is a deuterated form of sorafenib, a multi-kinase inhibitor used to treat various cancers, including hepatocellular carcinoma, renal cell carcinoma, and thyroid cancer. In this compound, three hydrogen atoms are replaced with deuterium, enhancing its utility in pharmacokinetic and metabolic studies. The deuterium labeling allows for precise tracking and analysis using mass spectrometry and NMR spectroscopy, facilitating detailed research into the drug’s absorption, distribution, metabolism, and excretion. Despite the isotopic substitution, Sorafenib-d3 retains the same therapeutic properties as the non-deuterated form, making it valuable for research into its mechanisms of action and optimization in cancer treatment.