| 76856-73-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 76856-73-0；76899-18-8
• 化学式: C₂₂H₃₉NO₄
• 分子量: 381.556
• InChiKey: PHBHWZQXPCGAJH-MGKKNZNMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  27.0
• 可旋转键数：
  14.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  66.84
• 氢给体数：
  1.0
• 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， 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
• 作为产物：
  描述：

  ethyl 5,5-dicarbethoxy-1-methyl-2-oxo-4-pyrrolidineheptanoate 在 四氢吡咯 、 sodium tetrahydroborate 、 水 、 草酸 、 sodium hydride 、 potassium carbonate 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 、 sodium chloride 作用下， 以 四氢呋喃 、 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 36.67h， 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