Dabrafenib-d9

• CAT Number: R060507
• CAS Number: 1423119-98-5
• Molecular Formula: C23H20F3N5O2S2
• Molecular Weight: 528.616
• Purity: ≥95%
• Synonyms: N-[3-[5-(2-Amino-4-pyrimidinyl)-2-[1,1-di(methyl-d3)ethyl-2,2,2-d3]-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-benzenesulfonamide; GSK 2118436-d9; Tafinlar-d9
• Storage: -20°C
• IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
• InChI: InChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)/i1D3,2D3,3D3
• InChIKey: BFSMGDJOXZAERB-GQALSZNTSA-N
• SMILES: [2H]C([2H])([2H])C(C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F)(C([2H])([2H])[2H])C([2H])([2H])[2H]

Dabrafenib-d9 is a deuterated form of dabrafenib, where nine hydrogen atoms are replaced with deuterium. Dabrafenib is a BRAF inhibitor used in the treatment of certain types of cancer, including melanoma with BRAF V600E mutation. The deuterium labeling in Dabrafenib-d9 allows for precise tracking in pharmacokinetic and pharmacodynamic studies, using techniques such as mass spectrometry. The increased stability provided by deuterium helps in reducing metabolic degradation, potentially leading to more consistent therapeutic levels and improved efficacy. Dabrafenib-d9 is essential for researchers investigating the metabolism, distribution, and therapeutic effects of dabrafenib, contributing to the development and optimization of targeted cancer therapies.