(Z)-7-{(1R,2R,3R,5S)-5-Hydroxy-3-(tetrahydro-pyran-2-yloxy)-2-[(E)-(S)-3-(tetrahydro-pyran-2-yloxy)-5-(3-trifluoromethyl-phenyl)-pent-1-enyl]-cyclopentyl}-hept-5-enoic acid | 294856-07-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (Z)-7-{(1R,2R,3R,5S)-5-Hydroxy-3-(tetrahydro-pyran-2-yloxy)-2-[(E)-(S)-3-(tetrahydro-pyran-2-yloxy)-5-(3-trifluoromethyl-phenyl)-pent-1-enyl]-cyclopentyl}-hept-5-enoic acid
• 英文别名: (Z)-7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(E,3S)-3-(oxan-2-yloxy)-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid
• CAS: 294856-07-8
• 化学式: C₃₄H₄₇F₃O₇
• 分子量: 624.738
• InChiKey: KSJLRMGNLHRRCU-BXNPBCPNSA-N

物化性质

• 沸点：
  717.5±60.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  44
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  94.4
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (Z)-7-{(1R,2R,3R,5S)-5-Hydroxy-3-(tetrahydro-pyran-2-yloxy)-2-[(E)-(S)-3-(tetrahydro-pyran-2-yloxy)-5-(3-trifluoromethyl-phenyl)-pent-1-enyl]-cyclopentyl}-hept-5-enoic acid 在 palladium on activated charcoal 氢气 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 13,14-dihydro-17-((3-trifluoromethyl)phenyl)-17-trinor prostaglandin F_1α
  参考文献：
  名称：

  Synthesis and in vitro evaluation of human FP-receptor selective prostaglandin analogues

  摘要：

  The in vitro evaluation of a series of saturated prostaglandins revealed that compounds with omega chain aromatic rings retain nanomolar potency for the human prostaglandin F receptor (hFP receptor), exemplified by compound 8. In contrast, the double bonds are required for activity in the series with an acyclic omega chain as in PGF(2 alpha). (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00273-0
• 作为产物：
  描述：

  Benzoic acid (3aR,4R,5R,6aS)-2-oxo-4-[(E)-3-oxo-5-(3-trifluoromethyl-phenyl)-pent-1-enyl]-hexahydro-cyclopenta[b]furan-5-yl ester 在 甲醇 、 lithium aluminium tetrahydride 、 (-)-(S)-BINAL-H 、 sodium hexamethyldisilazane 、 二异丁基氢化铝 、 potassium carbonate 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (Z)-7-{(1R,2R,3R,5S)-5-Hydroxy-3-(tetrahydro-pyran-2-yloxy)-2-[(E)-(S)-3-(tetrahydro-pyran-2-yloxy)-5-(3-trifluoromethyl-phenyl)-pent-1-enyl]-cyclopentyl}-hept-5-enoic acid
  参考文献：
  名称：

  Synthesis and in vitro evaluation of human FP-receptor selective prostaglandin analogues

  摘要：

  The in vitro evaluation of a series of saturated prostaglandins revealed that compounds with omega chain aromatic rings retain nanomolar potency for the human prostaglandin F receptor (hFP receptor), exemplified by compound 8. In contrast, the double bonds are required for activity in the series with an acyclic omega chain as in PGF(2 alpha). (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00273-0