CAS 872599-83-2

(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione

Description:

The chemical substance with the name "(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione" and CAS number "872599-83-2" is a complex organic compound characterized by its multi-cyclic structure and various functional groups. It features a piperazinedione core, which is a bicyclic structure containing a piperazine ring and two carbonyl groups. The presence of substituents such as a dihydroindene moiety and a pyridine ring contributes to its potential biological activity. The stereochemistry indicated by the (R) and (S) designations suggests specific spatial arrangements of atoms, which can significantly influence the compound's pharmacological properties. This compound may exhibit interactions with biological targets, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity would depend on the specific functional groups and their arrangement, which can affect its behavior in various chemical environments. Further studies would be necessary to elucidate its full range of characteristics and potential applications.

Formula: C₃₀H₃₈N₄O₄

InChI: 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

InChI key: InChIKey=UWHCWRQFNKUYCG-QUZACWSFSA-N

SMILES: [C@@H](C(=O)N1CCOCC1)(N2[C@]([C@H](CC)C)(C(=O)N[C@@H](C2=O)[C@H]3CC=4C(C3)=CC=CC4)[H])C5=C(C)N=C(C)C=C5

Synonyms:

• Morpholine, 4-[(2R)-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl](2,6-dimethyl-3-pyridinyl)acetyl]-
• (3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-2,5-piperazinedione
• GSK 557296
• Epelsiban
• 2,5-Piperazinedione, 3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2,6-dimethyl-3-pyridinyl)-2-(4-morpholinyl)-2-oxoethyl]-6-[(1S)-1-methylpropyl]-, (3R,6R)-

Epelsiban

CAS: 872599-83-2

Epelsiban is an oxytocin receptor antagonist, which is a chemically synthesized compound. It functions by selectively blocking the oxytocin receptor, thereby inhibiting the effects mediated by oxytocin, a naturally occurring hormone involved in uterine contractions. This mode of action is particularly significant in the context of managing preterm labor.

Formula: C₃₀H₃₈N₄O₄

Purity: Min. 95%

Molecular weight: 518.6 g/mol

Ref: 3D-XJB59983

Epelsiban

CAS: 872599-83-2

Epelsiban is a selective and orally bioavailable oxytocin receptor antagonist (pKi: 9.9 for human oxytocin receptor).

Formula: C₃₀H₃₈N₄O₄

Purity: 98%

Color and Shape: Solid

Molecular weight: 518.65

Ref: TM-T11502