3-(3-chloro-4-morpholino-benzoyl)propionic acid morpholine amide | 84313-89-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-chloro-4-morpholino-benzoyl)propionic acid morpholine amide
• 英文别名: 1-[3-Chloro-4-(morpholin-4-yl)phenyl]-4-(morpholin-4-yl)butane-1,4-dione；1-(3-chloro-4-morpholin-4-ylphenyl)-4-morpholin-4-ylbutane-1,4-dione
• CAS: 84313-89-3
• 化学式: C₁₈H₂₃ClN₂O₄
• 分子量: 366.845
• InChiKey: GQBQEKXEXINHJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(3-chloro-4-morpholino-benzoyl)propionic acid morpholine amide 在 碳酸氢钠 、 一水合肼 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 47.0h， 生成 6-(3-chloro-4-morpholino-phenyl)-5-hydroxymethyl-4,5-dihydro-2H-pyridazine-3-one
  参考文献：
  名称：

  6-(4-Morpholino-phenyl)-4,5-dihydro-2H-pyridazine-3-ones: potent platelet aggregation inhibitors and antithrombotics

  摘要：

  A series of di- and tri-substituted 6-phenyl-4,5-dihydro-2H-pyridazine-3-ones is described. The compounds were designed to be antithrombotics and were assessed for their inhibitory properties on platelet aggregation and on thrombus formation in an arteriovenous shunt in the rat. The synthesis and physical properties of the compounds are described. The structure-activity relationships reveal that non-aromatic nitrogen-containing heterocycles can confer high activity on the 6-phenyl-pyridazinone system, provided they are combined with an additional electron-withdrawing substituent in the phenyl ring. The most potent compounds (8i, 8b) had an ED(min) of 1-3 mg/kg after oral administration in the thrombus formation test.

  DOI：

  10.1016/0223-5234(91)90121-3
• 作为产物：
  描述：

  吗啉 、 4-(3,4-二氯苯基)-4-氧代丁酸 反应 24.0h， 以58%的产率得到3-(3-chloro-4-morpholino-benzoyl)propionic acid morpholine amide
  参考文献：
  名称：

  6-(4-Morpholino-phenyl)-4,5-dihydro-2H-pyridazine-3-ones: potent platelet aggregation inhibitors and antithrombotics

  摘要：

  A series of di- and tri-substituted 6-phenyl-4,5-dihydro-2H-pyridazine-3-ones is described. The compounds were designed to be antithrombotics and were assessed for their inhibitory properties on platelet aggregation and on thrombus formation in an arteriovenous shunt in the rat. The synthesis and physical properties of the compounds are described. The structure-activity relationships reveal that non-aromatic nitrogen-containing heterocycles can confer high activity on the 6-phenyl-pyridazinone system, provided they are combined with an additional electron-withdrawing substituent in the phenyl ring. The most potent compounds (8i, 8b) had an ED(min) of 1-3 mg/kg after oral administration in the thrombus formation test.

  DOI：

  10.1016/0223-5234(91)90121-3

文献信息

• 6-(4-Morpholino-phenyl)-4,5-dihydro-2H-pyridazine-3-ones: potent platelet aggregation inhibitors and antithrombotics
  作者：R Goeschke、J Gainer、GA Howarth、RB Wallis、R Kerry、J Ambler、VS Findlay、KD Butler

  DOI：10.1016/0223-5234(91)90121-3

  日期：1991.10

  A series of di- and tri-substituted 6-phenyl-4,5-dihydro-2H-pyridazine-3-ones is described. The compounds were designed to be antithrombotics and were assessed for their inhibitory properties on platelet aggregation and on thrombus formation in an arteriovenous shunt in the rat. The synthesis and physical properties of the compounds are described. The structure-activity relationships reveal that non-aromatic nitrogen-containing heterocycles can confer high activity on the 6-phenyl-pyridazinone system, provided they are combined with an additional electron-withdrawing substituent in the phenyl ring. The most potent compounds (8i, 8b) had an ED(min) of 1-3 mg/kg after oral administration in the thrombus formation test.