1-[5-(4-Chloro-benzoyl)-4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl]-ethanone | 144507-33-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[5-(4-Chloro-benzoyl)-4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl]-ethanone
• CAS: 144507-33-5
• 化学式: C₁₈H₂₁ClN₂O₃
• 分子量: 348.829
• InChiKey: BGAMKBCPYXRZCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  545.1±50.0 °C(Predicted)
• 密度：
  1.295±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.36
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  49.85
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-[5-(4-Chloro-benzoyl)-4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl]-ethanone 在 盐酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 N-乙酰基-3-(4-氯苯甲酰基)-4-哌啶酮
  参考文献：
  名称：

  Novel tetrahydropyrido[4,3-d]pyrimidines as gastric antilesion agents

  摘要：

  A variety of substituted tetrahydropyrido[4,3-d]pyrimidines was prepared and found to possess gastric antilesion against ethanol-induced lesions in rats. The more potent compounds possessed similar activity against aspirin-induced gastric lesions. A selective group of compounds was determined to be inactive as gastric antisecretory agents in rabbit isolated parietal cells. The antilesion properties of these tetrahydropyrido[4,3-d]pyrimidines make them a potential alternative to prostaglandin therapy for gastric antilesion therapy and may have clinical utility in peptic ulcer disease.

  DOI：

  10.1016/0223-5234(92)90085-f
• 作为产物：
  描述：

  N-乙酰基-4-哌啶酮 在 对甲苯磺酸 、 三乙胺 作用下， 以 二氯甲烷 、 苯 为溶剂， 反应 10.0h， 生成 1-[5-(4-Chloro-benzoyl)-4-morpholin-4-yl-3,6-dihydro-2H-pyridin-1-yl]-ethanone
  参考文献：
  名称：

  Nonpeptidic, Noncovalent Inhibitors of the Cysteine Protease Cathepsin S

  摘要：

  The first nonpeptidic, noncovalent inhibitors of the cysteine protease cathepsin S (CatS) are described. Electronic database searching using the program DOCK generated a screening set of potential CatS inhibitors from which two lead structures were identified as promising starting points for a drug discovery effort. Lead optimization afforded potent (IC50 < 50 nM) and selective inhibitors of CatS demonstrating cellular activity and reversibility of enzyme inhibition.

  DOI：

  10.1021/jm0496133