1-methyl-N'-(2-(trifluoromethyl)benzoyl)-1H-indole-4-carbohydrazide | 1033977-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-methyl-N'-(2-(trifluoromethyl)benzoyl)-1H-indole-4-carbohydrazide
• CAS: 1033977-22-8
• 化学式: C₁₈H₁₄F₃N₃O₂
• 分子量: 361.323
• InChiKey: IWNCYVKBGPXJQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  63.13
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-methyl-N'-(2-(trifluoromethyl)benzoyl)-1H-indole-4-carbohydrazide 在 D-青霉胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1-methyl-1H-indol-4-yl)-5-(2-(trifluoromethyl)phenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Bis-aryl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1

  摘要：

  3-Aryl-5-phenyl-(1,2,4)-triazoles were identified as selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). They are active in both in vitro and an in vivo mouse pharmacodynamic (PD) model. The synthesis and structure activity relationships are presented. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.010
• 作为产物：
  描述：

  1-methyl-1H-indole-4-carbonyl chloride 、 2-(三氟甲基)苯甲酸酰肼 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 1-methyl-N'-(2-(trifluoromethyl)benzoyl)-1H-indole-4-carbohydrazide
  参考文献：
  名称：

  Bis-aryl triazoles as selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1

  摘要：

  3-Aryl-5-phenyl-(1,2,4)-triazoles were identified as selective inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 (11 beta-HSD1). They are active in both in vitro and an in vivo mouse pharmacodynamic (PD) model. The synthesis and structure activity relationships are presented. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.010