Name: RXFP1 receptor agonist-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583385
Cas No:2924460-54-6
常用名:RXFP1 receptor agonist-2
IUPAC:(1R,2S,3R,4R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-{5-[(1E)-3-(4-hydroxypiperidin-1-yl)-3-oxoprop-1-en-1-yl]-2-methoxybenzamido}-7-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane-2-carboxamide
IUPAC:(1R,2S,3R,4R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-{5-[(1E)-3-(4-hydroxypiperidin-1-yl)-3-oxoprop-1-en-1-yl]-2-methoxybenzamido}-7-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane-2-carboxamide
InChI key:ZUXZQNVAKAKAFL-ULZSFVKVSA-N

分子式:C33H32F7N3O5
分子量:683.624
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CC[C@]([H])([C@@H]([C@@H]1NC(=O)c1cc(\C=C\C(=O)N3CCC(O)CC3)ccc1OC)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)\C2=C\C(F)(F)F
SMILES:[H][C@]12CC[C@]([H])([C@@H]([C@@H]1NC(=O)c1cc(\C=C\C(=O)N3CCC(O)CC3)ccc1OC)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)\C2=C\C(F)(F)F

RXFP1 receptor agonist-2 (Example 124)为高特异性RXFP1受体激动剂，在HEK293细胞中稳定表达人类RXFP1时，其能显著抑制cAMP的生成，表现出1 nM的EC50值。

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