Name: 16(S)-Iloprost
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320964
Cas No:74843-14-4
常用名:16(S)-Iloprost
IUPAC:5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
IUPAC:5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S,4S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
InChI key:HIFJCPQKFCZDDL-ITQKTNNISA-N

分子式:C22H32O4
分子量:360.494
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O
SMILES:[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@@H](C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O

Iloprost is a second generation structural analog of prostacyclin (PGI2) with about ten-fold greater potency than the first generation stable analogs, typified by carbaprostacyclin. Iloprost binds with equal affinity to the recombinant human IP and EP1 receptors with a Ki value of 11 nM. Most preparations of iloprost contain 16(S) and 16(R) stereoisomers. 16(S)-Iloprost potently inhibits platelet aggregation with an IC50 value of 3.5 nM.

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