872599-83-2

872599-83-2 structure

Name: GSK 557296
Chemical Name: (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
CAS Number: 872599-83-2
Molecular Formula: C₃₀H₃₈N₄O₄
Molecular Weight: 518.64700
Catalog: Signaling Pathways GPCR/G Protein Oxytocin Receptor
Create Date: 2017-10-12 07:48:28
Modify Date: 2024-01-22 21:11:15
Epelsiban (GSK 557296) is a potent, selective and orally bioavailable oxytocin receptor antagonist, with a pKi of 9.9 for human oxytocin receptor.

Name	(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
Synonyms	epelsiban unii-t2ez19hx73 GSK 557296

Description	Epelsiban (GSK 557296) is a potent, selective and orally bioavailable oxytocin receptor antagonist, with a pKi of 9.9 for human oxytocin receptor.
Related Catalog	Signaling Pathways >> GPCR/G Protein >> Oxytocin Receptor Research Areas >> Others
Target	pKi: 9.9 (human oxytocin receptor)[1] IC50: 192 nM (human oxytocin receptor)[1]
In Vitro	Epelsiban is a potent oxytocin receptor, with a pKi of 9.9 for human oxytocin receptor, >31000-fold selectivity over all three human vasopressin receptors hV1aR (pKi, <5.2), hV2R (pKi, <5.1), and hV1bR (pKi, 5.4), and shows no significant P450 inhibition[1].
In Vivo	Epelsiban shows an IC50 of 192 nM for oxytocin receptor in rats. Epelsiban has low levels of intrinsic clearance against the microsomes of rat, dog, and cynomolgus monkey, good bioavailability (55%), but is negative in the genotoxicity screens with a satisfactory oral safety profile in female rats[1].
References	[1]. Borthwick AD, et al. Pyridyl-2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists: synthesis, pharmacokinetics, and in vivo potency. J Med Chem. 2012 Jan 26;55(2):783-96.