epelsiban

InvivoChem Cat #:V3618CAS #:872599-83-2 Purity >=98%

Description: Epelsiban (also known as GSK 557296) is a novel, potent, selective and orally bioavailable oxytocin receptor antagonist, with a pKi of 9.9 for human oxytocin receptor. Epelsiban shows > 31000-fold selectivity over all three human vasopressin receptors hV1aR, hV2R, and hV1bR, with no significant P450 inhibition. Epelsiban has low levels of intrinsic clearance against the microsomes of four species, good bioavailability (55%) and comparable potency to atosiban in the rat, but is 100-fold more potent than the latter in vitro and was negative in the genotoxicity screens with a satisfactory oral safety profile in female rats.

References: J Med Chem. 2012 Jan 26; 55(2):783-96.

Related CAS#:1159097-48-9 (Epelsiban besylate)

-20C for 3 years in powder form

Synonym: GSK557296; GSK 557296; GSK-557296; GSK-557, 296-B
Chemical Name: (3R, 6R)-6-((S)-sec-butyl)-3-(2, 3-dihydro-1H-inden-2-yl)-1-((R)-1-(2, 6-dimethylpyridin-3-yl)-2-morpholino-2-oxoethyl)piperazine-2, 5-dione
InChi Key: UWHCWRQFNKUYCG-QUZACWSFSA-N
InChi Code: InChI=1S/C30H38N4O4/c1-5-18(2)26-28(35)32-25(23-16-21-8-6-7-9-22(21)17-23)29(36)34(26)27(24-11-10-19(3)31-20(24)4)30(37)33-12-14-38-15-13-33/h6-11, 18, 23, 25-27H, 5, 12-17H2, 1-4H3, (H, 32, 35)/t18-, 25+, 26+, 27+/m0/s1
SMILES Code: O=C([CH](C1CC2=C(C=CC=C2)C1)N3)N([CH](C4=CC=C(C)N=C4C)C(N5CCOCC5)=O)[CH]([CH](C)CC)C3=O