7-[2-(3-hydroxy-octyl)-1,1,4-trioxo-1λ⁶-thiazolidin-3-yl]-heptanoic acid | 64054-46-2

• 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: 7-[2-(3-hydroxy-octyl)-1,1,4-trioxo-1λ⁶-thiazolidin-3-yl]-heptanoic acid
• 英文别名: rac-(15Ξ)-15-hydroxy-9,11,11-trioxo-11λ⁶-thia-8-aza-prostan-1-oic acid；7-[2-(3-hydroxyoctyl)-1,1,4-trioxo-3-thiazolidinyl]-heptanoic acid；7-[2-(3-Hydroxyoctyl)-1,1,4-trioxo-1lambda~6~,3-thiazolidin-3-yl]heptanoic acid；7-[2-(3-hydroxyoctyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]heptanoic acid
• CAS: 64054-46-2
• 化学式: C₁₈H₃₃NO₆S
• 分子量: 391.529
• InChiKey: NBYGDBWZFGSVPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-acetoxy-nonanal 在 ammonium molybdate sodium hydroxide 、 双氧水 作用下， 以 甲醇 为溶剂， 反应 79.0h， 生成 7-[2-(3-hydroxy-octyl)-1,1,4-trioxo-1λ⁶-thiazolidin-3-yl]-heptanoic acid
  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
• Prostaglandin isosteres. 1. (8-Aza-, 8,10-diaza-, and 8-aza-11-thia)-9-oxoprostanoic acids and their derivatives
  作者：Robert L. Smith、Ta-Jyh Lee、Norman P. Gould、Edward J. Cragoe、Helen G. Oien、Frederick A. Kuehl

  DOI：10.1021/jm00220a013

  日期：1977.10

  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.