Name: SKI2496
Rating: 5 (10 reviews)

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HIT ID:HIT212713684
Cas No:1308378-95-1
常用名:SKI2496
别名:SKI-2496, SKI 2496
IUPAC:4-{[(1R)-2-(3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-5-(4-{[5-(trifluoromethyl)furan-2-yl]methyl}piperazin-1-yl)-1,2,3,6-tetrahydropyrimidin-1-yl)-1-phenylethyl]amino}butanoic acid
IUPAC:4-{[(1R)-2-(3-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-4-methyl-2,6-dioxo-5-(4-{[5-(trifluoromethyl)furan-2-yl]methyl}piperazin-1-yl)-1,2,3,6-tetrahydropyrimidin-1-yl)-1-phenylethyl]amino}butanoic acid
InChI key:JLKXURLUTOXXPN-NDEPHWFRSA-N

分子式:C35H36F7N5O5
分子量:739.692
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:2.8247468
SMILES:Cc1c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F
SMILES:Cc1c(N2CCN(Cc3ccc(o3)C(F)(F)F)CC2)c(=O)n(C[C@H](NCCCC(O)=O)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F

SKI2496 is a potent and orally bioavailableantagonist of Gonadotropin-Releasing Hormone Receptor (hGnRHR IC50 = 0.46 nM; max. LH inh. inh. (%, h)= 84%, 12h; LH inh. (24h) = 76%.). SKI2496 exhibits more selective antagonistic activity toward the human GnRH receptors over the GnRHRs in monkeys and rats.

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