(5Z)-7-<3-endo-(3-pyridinyl)bicyclo<2.2.1>hept-2-exo-yl>hept-5-enoic acid | 133870-57-2

• 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: (5Z)-7-<3-endo-(3-pyridinyl)bicyclo<2.2.1>hept-2-exo-yl>hept-5-enoic acid
• 英文别名: (Z)-7-[(1S,2R,3R,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid
• CAS: 133870-57-2；133908-30-2
• 化学式: C₁₉H₂₅NO₂
• 分子量: 299.413
• InChiKey: UZUUXEYJDKQWLL-IZZQEWLLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.41
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  50.19
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (5Z)-7-<3-endo-(3-pyridinyl)bicyclo<2.2.1>hept-2-exo-yl>hept-5-enoic acid 在 palladium on activated charcoal 氢气 作用下， 生成 7-[(1S,2R,3R,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
  参考文献：
  名称：

  Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 1. (.+-.)-(3-Pyridinylbicycloheptyl)alkanoic acids

  摘要：

  The design, synthesis, and in vitro pharmacology of a new class of compounds exerting both thromboxane receptor antagonist and thromboxane synthase inhibitory activities is described. [(3-Pyridinyl)bicycloheptyl]alkanoic acid 9 and its analogues, designed with the help of molecular modeling, were synthesized and found to be inhibitors of thromboxane A2 (TxA2) biosynthesis in a human platelet microsomal preparation. The compounds were also found to antagonize both platelet and vascular TxA2 receptors. The compounds inhibited the U 46619 induced aggregation of human washed platelets and platelet-rich plasma and the U 46619 induced contraction of the dog saphenous vein.

  DOI：

  10.1021/jm00110a006
• 作为产物：
  描述：

  4-羧丁基三苯基溴化膦 在 sodium hydroxide 、 potassium 2-methylbutan-2-olate 作用下， 以 四氢呋喃 、 甲醇 、 甲苯 为溶剂， 反应 16.75h， 生成 (5Z)-7-<3-endo-(3-pyridinyl)bicyclo<2.2.1>hept-2-exo-yl>hept-5-enoic acid
  参考文献：
  名称：

  Thromboxane receptor antagonism combined with thromboxane synthase inhibition. 1. (.+-.)-(3-Pyridinylbicycloheptyl)alkanoic acids

  摘要：

  The design, synthesis, and in vitro pharmacology of a new class of compounds exerting both thromboxane receptor antagonist and thromboxane synthase inhibitory activities is described. [(3-Pyridinyl)bicycloheptyl]alkanoic acid 9 and its analogues, designed with the help of molecular modeling, were synthesized and found to be inhibitors of thromboxane A2 (TxA2) biosynthesis in a human platelet microsomal preparation. The compounds were also found to antagonize both platelet and vascular TxA2 receptors. The compounds inhibited the U 46619 induced aggregation of human washed platelets and platelet-rich plasma and the U 46619 induced contraction of the dog saphenous vein.

  DOI：

  10.1021/jm00110a006

文献信息

• BHAGWAT, SH. S.;GUDE, C.;COHEN, D. S., J. MED. CHEM., 34,(1991) N, C. 1790-1797
  作者：BHAGWAT, SH. S.、GUDE, C.、COHEN, D. S.

  DOI：——

  日期：——