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Dabrafenib-[d9]

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General Information
Catalog: BLP-012291
CAS: 1423119-98-5
Molecular Formula: C23H11D9F3N5O2S2
Molecular Weight: 528.62

Chemical Structure

Description	Dabrafenib-[d9] is the isotope labelled analog of Dabrafenib, an inhibitor of mutated BRAF kinase.
Synonyms	Dabrafenib D9
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
Related CAS	1195765-45-7 (unlabelled)
Canonical SMILES	CC(C)(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
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
InChI Key	BFSMGDJOXZAERB-GQALSZNTSA-N
Boiling Point	653.7±65.0 °C at 760 mmHg
Purity	95% by HPLC; 95% atom D
Density	1.4±0.1 g/cm3
Storage	Store at -20°C