Name: Encorafenib-[d7]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015045

CAS: 2413673-15-9

Molecular Formula: C22H20D7ClFN7O4S

Molecular Weight: 547.06

Chemical Structure

Description	Encorafenib-[d7] is the labelled analogue of Encorafenib. Encorafenib, also known as LGX-818, is an orally available Raf kinase inhibitor with potential antineoplastic activity.
Synonyms	Methyl (S)-(1-((4-(3-(5-chloro-2-fluoro-3-(methylsulfonamido)phenyl)-1-(propan-2-yl-d7)-1H-pyrazol-4-yl)pyrimidin-2-yl)amino)propan-2-yl)carbamate; Encorafenib-d7; (S)-Methyl [1-[[4-[3-[5-chloro-2-fluoro-3-(methylsulfonamido)phenyl]-1-(isopropyl-d7)-1H-pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate; Braftovi-d7; LGX 818-d7; NVP-LGX 818NXA-d7
IUPAC Name	methyl N-[(2S)-1-[[4-[3-[5-chloro-2-fluoro-3-(methanesulfonamido)phenyl]-1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]propan-2-yl]carbamate
Related CAS	1269440-17-6 (unlabelled)
Canonical SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])N1C=C(C(=N1)C2=C(C(=CC(=C2)Cl)NS(=O)(=O)C)F)C3=NC(=NC=C3)NC[C@H](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/i1D3,2D3,12D
InChI Key	CMJCXYNUCSMDBY-BQDIOWDPSA-N
Purity	>95%
Storage	Store at 2-8 °C