Name: rac-Cobimetinib-[d9]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-013444

CAS: 2714409-22-8

Molecular Formula: C21H12D9F3IN3O2

Molecular Weight: 540.37

Chemical Structure

Description	rac-Cobimetinib-[d9] is the labelled analogue of Cobimetinib (racemate). Cobimetinib is a potent, orally available and highly selective MEK1 inhibitor with IC50 of 4.2 nM.
Synonyms	(3,4-Difluoro-2-((2-fluoro-4-iodophenyl)amino)phenyl)(3-hydroxy-3-(piperidin-2-yl-2,3,3,4,4,5,5,6,6-d9)azetidin-1-yl)methanone; Cobimetinib D9; [3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl][3-hydroxy-3-(2-piperidinyl-d9)-1-azetidinyl]methanone; 1-[[3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl]carbonyl]-3-(piperidin-2-yl-d9)azetidin-3-ol; rac-Cobimetinib-d9; Cotellic-d9; GDC-0973-d9; XL-518-d9; rac-Cobimetinib D9
IUPAC Name	[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]-[3-hydroxy-3-(2,3,3,4,4,5,5,6,6-nonadeuteriopiperidin-2-yl)azetidin-1-yl]methanone
Related CAS	934662-91-6 (unlabelled)
Canonical SMILES	[2H]C1(C(C(NC(C1([2H])[2H])([2H])C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O)([2H])[2H])([2H])[2H])[2H]
InChI	InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/i1D2,2D2,3D2,8D2,17D
InChI Key	BSMCAPRUBJMWDF-VJSNFXQMSA-N
Purity	>95%; 98% atom D
Storage	Store at 2-8 °C