Acetic acid (1S,2R,3S,4R)-4-(tert-butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentyl ester | 211501-84-7

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机类金属化合物
• 英文名称: Acetic acid (1S,2R,3S,4R)-4-(tert-butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentyl ester
• CAS: 211501-84-7
• 化学式: C₃₈H₇₂O₆Si₂
• 分子量: 681.157
• InChiKey: JGDZTSFYQLNFGA-KGGGNGCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.43
• 重原子数：
  46.0
• 可旋转键数：
  19.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  63.22
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Acetic acid (1S,2R,3S,4R)-4-(tert-butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentyl ester 在 jones' reagent 、 4-甲基苯磺酸吡啶 、 异丙醇 作用下， 以 乙醚 为溶剂， 生成 (Z)-7-{(1R,2S,3R,5S)-5-Acetoxy-3-(tert-butyl-dimethyl-silanyloxy)-2-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-cyclopentyl}-hept-5-enoic acid
  参考文献：
  名称：

  Synthesis and pharmacological activities of 13-Dehydro derivatives of primary prostaglandins

  摘要：

  13-Dehydro derivatives of prostaglandin E-1, E-2, E-3, F-1 alpha, and F-2 alpha were synthesized. Compared with natural prostaglandins, 13-dehydro analogues were found to exhibit more potent inhibitory activity against human platelet aggregation and relaxation of guinea-pig isolated trachea, while they showed less potent activity of contraction of guinea-pig isolated ileum. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00247-9
• 作为产物：
  描述：

  (2R,3S,4R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentanone 在 吡啶 、 4-二甲氨基吡啶 、 L-Selectride 作用下， 以 四氢呋喃 为溶剂， 生成 Acetic acid (1S,2R,3S,4R)-4-(tert-butyl-dimethyl-silanyloxy)-3-[(S)-3-(tert-butyl-dimethyl-silanyloxy)-oct-1-ynyl]-2-[(Z)-7-(1-ethoxy-ethoxy)-hept-2-enyl]-cyclopentyl ester
  参考文献：
  名称：

  Synthesis and pharmacological activities of 13-Dehydro derivatives of primary prostaglandins

  摘要：

  13-Dehydro derivatives of prostaglandin E-1, E-2, E-3, F-1 alpha, and F-2 alpha were synthesized. Compared with natural prostaglandins, 13-dehydro analogues were found to exhibit more potent inhibitory activity against human platelet aggregation and relaxation of guinea-pig isolated trachea, while they showed less potent activity of contraction of guinea-pig isolated ileum. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00247-9