5-cis Carbaprostacyclin | CAS 69609-77-4 | AnyMole

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HIT214321040

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HIT214321040

HIT ID:HIT214321040
Cas No:69609-77-4
常用名:5-cis Carbaprostacyclin
IUPAC:5-[(2Z,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
IUPAC:5-[(2Z,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-octahydropentalen-2-ylidene]pentanoic acid
InChI key:XZFRIPGNUQRGPI-WLPVIMDJSA-N

分子式:C21H34O4
分子量:350.499
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)CCCCC)[C@@]1([H])C\C(C2)=C/CCCC(O)=O
SMILES:[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@]1([H])C\C(C2)=C/CCCC(O)=O

5-cis Carbaprostacyclin is a stable analog of PGI2 and an isomer of carbaprostacyclin. It is a weak inhibitor of human platelet aggregation with an IC50 of 2.8 μM compared to 0.3 μM for carbaprostacyclin. 5-cis Carbaprostacyclin is a much weaker effector of rabbit mesenteric artery relaxation with an EC50 of 104 μM compared to 5.9 μM for carbaprostacyclin. It even antagonizes the adenylate cyclase activation induced by carbaprostacyclin.

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