12-Hydroxy-8-(1-hydroxy-ethyl)-13-(3-trifluoromethyl-phenoxy)-tridecanoic acid | 67587-26-2

• 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: 12-Hydroxy-8-(1-hydroxy-ethyl)-13-(3-trifluoromethyl-phenoxy)-tridecanoic acid
• CAS: 67587-26-2
• 化学式: C₂₂H₃₃F₃O₅
• 分子量: 434.496
• InChiKey: UPMXOBZZEZCMAA-UHFFFAOYSA-N

物化性质

• 沸点：
  580.7±50.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.04
• 重原子数：
  30.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  86.99
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  8-Acetyl-12-hydroxy-13-(3-trifluoromethylphenoxy)tridecanoic Acid 在 sodium hydroxide 、 sodium tetrahydroborate 作用下， 生成 12-Hydroxy-8-(1-hydroxy-ethyl)-13-(3-trifluoromethyl-phenoxy)-tridecanoic acid
  参考文献：
  名称：

  11,12-Secoprostaglandins. 5. 8-Acetyl- or8-(1-hydroxyethyl)-12-hydroxy-13-aryloxytridecanoic acids and sulfonamide isosteres as inhibitors of platelet aggregation

  摘要：

  The synthesis of a series of 8-acetyl- (or 1-hydroxyethyl-) 12-hydroxy-13-aryloxytridecanoic acids and their sulfonamide isosteres is described. These compounds are formally derived from members of earlier reported series of modified secoprostaglandins by replacing the omega-butyl chain termini by substituted aryloxy groups. A number of these compounds are potent inhibitors of collagen-induced blood platelet aggregation in guinea pigs on oral administration.

  DOI：

  10.1021/jm00208a003