(E)-benzyl 5-((3aS,4R,5R,6aS)-5-hydroxy-4-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoate | 1259542-01-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: (E)-benzyl 5-((3aS,4R,5R,6aS)-5-hydroxy-4-((3S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)hexahydropentalen-2(1H)-ylidene)pentanoate
• 英文别名: benzyl (5E)-5-[(3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoate
• CAS: 1259542-01-2
• 化学式: C₂₉H₃₈O₄
• 分子量: 450.618
• InChiKey: WPLPFDHQXFFEGJ-CPJOXYOBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• PROSTACYCLIN DERIVATIVES
  申请人：Masse Craig E.

  公开号：US20120270934A1

  公开（公告）日：2012-10-25

  This invention relates to novel prostacyclin derivatives and acceptable salts thereof. The invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions beneficially treated by prostacyclin, and in particular those diseases and conditions beneficially treated by dilators of systemic and pulmonary arterial vascular beds or by platelet aggregation inhibitors.

  本发明涉及新颖的前列环素衍生物及其可接受的盐。本发明还提供了包含本发明化合物的组合物，并使用这些组合物在治疗利于前列环素治疗的疾病和病况的方法中，特别是那些通过扩张系统和肺动脉血管床或通过抑制血小板聚集而有益地治疗的疾病和病况。