7-{2-[3-benzyloxy-4-(4-fluoro-phenoxy)-butyl]-4-oxo-thiazolidin-3-yl}-heptanoic acid benzyl ester | 64054-50-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-{2-[3-benzyloxy-4-(4-fluoro-phenoxy)-butyl]-4-oxo-thiazolidin-3-yl}-heptanoic acid benzyl ester
• 英文别名: Benzyl 7-[2-[4-(4-fluorophenoxy)-3-phenylmethoxybutyl]-4-oxo-1,3-thiazolidin-3-yl]heptanoate
• CAS: 64054-50-8
• 化学式: C₃₄H₄₀FNO₅S
• 分子量: 593.76
• InChiKey: UWGFYJAYBDKSDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  42
• 可旋转键数：
  19
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  90.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-{2-[3-benzyloxy-4-(4-fluoro-phenoxy)-butyl]-4-oxo-thiazolidin-3-yl}-heptanoic acid benzyl ester 在 ammonium molybdate 双氧水 作用下， 以 甲醇 为溶剂， 反应 64.0h， 生成 7-{2-[3-benzyloxy-4-(4-fluoro-phenoxy)-butyl]-1,1,4-trioxo-1λ⁶-thiazolidin-3-yl}-heptanoic acid benzyl ester
  参考文献：
  名称：

  Prostaglandin isosteres. 1. (8-Aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids and their derivatives

  摘要：

  A series of novel (8-aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids has been synthesized and evaluated for their ability to mimic the E series prostaglandins in stimulating cAMP formation in the mouse ovary and in binding to the rat kidney plasma prostaglandin receptor. 7-[2-(3-Hydroxyoctyl)-1,1,4-trioxo-3-thiazolidinyl]heptanoic acid markedly stimulates cAMP formation at reasonable pharmacological concentrations and avidly binds to the rat kidney prostaglandin receptor.

  DOI：

  10.1021/jm00220a013
• 作为产物：
  描述：

  7-氨基庚酸 在 氯化亚砜 作用下， 生成 7-{2-[3-benzyloxy-4-(4-fluoro-phenoxy)-butyl]-4-oxo-thiazolidin-3-yl}-heptanoic acid benzyl ester
  参考文献：
  名称：

  Prostaglandin isosteres. 1. (8-Aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids and their derivatives

  摘要：

  A series of novel (8-aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids has been synthesized and evaluated for their ability to mimic the E series prostaglandins in stimulating cAMP formation in the mouse ovary and in binding to the rat kidney plasma prostaglandin receptor. 7-[2-(3-Hydroxyoctyl)-1,1,4-trioxo-3-thiazolidinyl]heptanoic acid markedly stimulates cAMP formation at reasonable pharmacological concentrations and avidly binds to the rat kidney prostaglandin receptor.

  DOI：

  10.1021/jm00220a013

文献信息

• US4059587A
  申请人：——

  公开号：US4059587A

  公开（公告）日：1977-11-22
• US4102888A
  申请人：——

  公开号：US4102888A

  公开（公告）日：1978-07-25