Name: RXFP1 receptor agonist-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583389
Cas No:2924619-64-5
常用名:RXFP1 receptor agonist-1
IUPAC:3-[(1S,3R)-3-{[(1R,2R,3S,4R,7Z)-3-{[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-7-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptan-2-yl]carbamoyl}cyclohexyl]benzoic acid
IUPAC:3-[(1S,3R)-3-{[(1R,2R,3S,4R,7Z)-3-{[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl}-7-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptan-2-yl]carbamoyl}cyclohexyl]benzoic acid
InChI key:IUWHVVBHXOBNHO-NEIIGBTISA-N

分子式:C31H29F7N2O4
分子量:626.572
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)[C@@H]1CCC[C@@H](C1)c1cccc(c1)C(O)=O)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)[C@@H]1CCC[C@@H](C1)c1cccc(c1)C(O)=O)C(=O)Nc1ccc(F)c(c1)C(F)(F)F)\C2=C\C(F)(F)F

RXFP1 receptor agonist-1 (Example 2) 作为一种RXFP1 受体激动剂，能够在稳定表达人体RXFP1的HEK293细胞中抑制cAMP产生，其EC50值为300 nM。

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