| 76856-72-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 76856-72-9；76899-17-7
• 化学式: C₂₁H₃₇NO₄
• 分子量: 367.529
• InChiKey: UELAWXIUYQEWIW-ATQSKCOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  26.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  75.63
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以65%的产率得到
  参考文献：
  名称：

  Azaprostaglandin analogs. Synthesis and biological properties of 11-azaprostaglandin derivatives

  摘要：

  New nitrogen analogues of prostaglandins (11, 11a, 12, and 12a) have been synthesized starting from a 4,5-disubstituted 2-pyrrolidinone nucleus (5 and 5a) containing one side chain and a suitable functionality for elaborating the second one. These analogues had no better activity than natural prostaglandins in vitro [guinea pig ileum and trachea, rat stomach fundus strip, uterus and portal vein, ADP-induced guinea pig platelet-rich plasma (PRP) aggregation]. They similarly lacked any interesting activity in vivo [anesthetized rat blood pressure, stress, and acetylsalycilic acid (ASA) induced gastric lesions in rat].

  DOI：

  10.1021/jm00137a027
• 作为产物：
  描述：

  ethyl 5-(hydroxymethyl)-2-oxo-4-pyrrolidineheptanoate 在 四氢吡咯 、 sodium tetrahydroborate 、 草酸 、 sodium hydride 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 乙醇 为溶剂， 反应 24.17h， 生成
  参考文献：
  名称：

  Azaprostaglandin analogs. Synthesis and biological properties of 11-azaprostaglandin derivatives

  摘要：

  New nitrogen analogues of prostaglandins (11, 11a, 12, and 12a) have been synthesized starting from a 4,5-disubstituted 2-pyrrolidinone nucleus (5 and 5a) containing one side chain and a suitable functionality for elaborating the second one. These analogues had no better activity than natural prostaglandins in vitro [guinea pig ileum and trachea, rat stomach fundus strip, uterus and portal vein, ADP-induced guinea pig platelet-rich plasma (PRP) aggregation]. They similarly lacked any interesting activity in vivo [anesthetized rat blood pressure, stress, and acetylsalycilic acid (ASA) induced gastric lesions in rat].

  DOI：

  10.1021/jm00137a027