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Encorafenib-[13C,d3]

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General Information
Catalog: BLP-005302
Molecular Formula: C21[13C]H24D3ClFN7O4S
Molecular Weight: 544.02

Chemical Structure

Description	Encorafenib-[13C,d3] is the labelled analogue of Encorafenib. Encorafenib, also known as LGX-818, is an orally available Raf kinase inhibitor with potential antineoplastic activity.
Synonyms	Encorafenib-13C D3
IUPAC Name	methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(trideuterio(1-13C)methylsulfonylamino)phenyl]-1-propan-2-ylpyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
Related CAS	1269440-17-6 (unlabelled)
Canonical SMILES	CC(C)N1C=C(C(=N1)C2=C(C(=CC(=C2)Cl)NS(=O)(=O)C)F)C3=NC(=NC=C3)NCC(C)NC(=O)OC
InChI	InChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1/i5+1D3
InChI Key	CMJCXYNUCSMDBY-CDCJQKACSA-N
Appearance	White to Off-white Solid
Storage	Store at -20°C