Selexipag metabolite ACT-333679 is a pyridine-based derivative featuring a tetrahydropyran ring fused to a substituted benzene moiety, with a terminal hydroxyl group and a pyrrolidin-2-one side chain. It retains the core 5-ethyl-2-pyridyl scaffold of Selexipag but incorporates an additional methoxy group at the para position of the aromatic ring and a carbamoyl substitution on the cyclohexyl ring. This metabolite arises via oxidative demethylation and subsequent hydroxylation pathways. It serves as a critical HPLC reference standard for quantifying process-related impurities in Selexipag drug substance synthesis.
On RequestCC(C)N(CCCCOCC(=O)O)C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)
OJQMKCBWYCWFPU-UHFFFAOYSA-N