Name: Orvepitant maleate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212672765
Cas No:579475-24-4
常用名:Orvepitant maleate
别名:GW823296 maleate
IUPAC:(2R,4S)-4-[(8aS)-6-oxo-octahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide; (2Z)-but-2-enedioic acid
IUPAC:(2R,4S)-4-[(8aS)-6-oxo-octahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide; (2Z)-but-2-enedioic acid
InChI key:IPACOHTZCSBGBV-WUXDIRCFSA-N

分子式:C35H39F7N4O6
分子量:744.708
氢键供体数 (HBD):0
氢键受体数 (HBA):3
LogP:5.255569
SMILES:OC(=O)\C=C/C(O)=O.[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCN([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)[C@H](C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
SMILES:OC(=O)\C=C/C(O)=O.[H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCN([C@H](C1)c1ccc(F)cc1C)C(=O)N(C)[C@H](C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

Orvepitant maleate is an effective, selective, and well-tolerated neurokinin-1 receptor (NK-1) antagonist (pKi: 10.2 for human neurokinin-1 receptor). Orvepitant maleate has the potential for depressive disorder and chronic refractory cough (CRC) treatment. Orvepitant maleate can across the blood-brain barrier.

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