Methyl 5-[2-(5-chloro-2-methoxybenzoyl)-4-(trifluoromethyl)anilino]-5-oxopentanoate | 568565-33-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 5-[2-(5-chloro-2-methoxybenzoyl)-4-(trifluoromethyl)anilino]-5-oxopentanoate
• CAS: 568565-33-3
• 化学式: C₂₁H₁₉ClF₃NO₅
• 分子量: 457.834
• InChiKey: RBGQVEHOSRQIAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  31
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Methyl 5-[2-(5-chloro-2-methoxybenzoyl)-4-(trifluoromethyl)anilino]-5-oxopentanoate 在 dimethyl sulfide borane 、 氢溴酸 、 双(三甲基硅烷基)氨基钾 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 4-(5-chloro-2-methoxyphenyl)-3-(3-hydroxypropyl)-6-(trifluoromethyl)-2(1H)-quinolinone
  参考文献：
  名称：

  4-Aryl-3-(hydroxyalkyl)quinolin-2-ones:  Novel Maxi-K Channel Opening Relaxants of Corporal Smooth Muscle Targeted for Erectile Dysfunction

  摘要：

  Novel 4-aryl-3-(hydroxyalkyl)quinoline-2-one derivatives were prepared and evaluated as openers of the cloned maxi-K channel hSlo expressed in Xenopus laevis oocytes by utilizing electrophysiological methods. The effect of these maxi-K openers on corporal smooth muscle was studied in vitro using isolated rabbit corpus cavernosum. From this study, a potent maxi-K opener was identified as an effective relaxant of rabbit corporal smooth muscle and shown to be active in an in vivo animal model of male erectile function.

  DOI：

  10.1021/jm030005h
• 作为产物：
  描述：

  4-氯甲酰基丁酸甲酯 、 (2-氨基-5-三氟甲基-苯基)-(5-氯-2-甲氧基-苯基)-甲酮 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 Methyl 5-[2-(5-chloro-2-methoxybenzoyl)-4-(trifluoromethyl)anilino]-5-oxopentanoate
  参考文献：
  名称：

  4-Aryl-3-(hydroxyalkyl)quinolin-2-ones:  Novel Maxi-K Channel Opening Relaxants of Corporal Smooth Muscle Targeted for Erectile Dysfunction

  摘要：

  Novel 4-aryl-3-(hydroxyalkyl)quinoline-2-one derivatives were prepared and evaluated as openers of the cloned maxi-K channel hSlo expressed in Xenopus laevis oocytes by utilizing electrophysiological methods. The effect of these maxi-K openers on corporal smooth muscle was studied in vitro using isolated rabbit corpus cavernosum. From this study, a potent maxi-K opener was identified as an effective relaxant of rabbit corporal smooth muscle and shown to be active in an in vivo animal model of male erectile function.

  DOI：

  10.1021/jm030005h