2-(1-methyl-1H-indol-4-yl)-5-(2-(trifluoromethyl)phenyl)-1,3,4-oxadiazole | 1033977-23-9

• 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: 2-(1-methyl-1H-indol-4-yl)-5-(2-(trifluoromethyl)phenyl)-1,3,4-oxadiazole
• CAS: 1033977-23-9
• 化学式: C₁₈H₁₂F₃N₃O
• 分子量: 343.308
• InChiKey: MFIMMCMFSIJKBD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.91
• 重原子数：
  25.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  43.85
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(1-methyl-1H-indol-4-yl)-5-(2-(trifluoromethyl)phenyl)-1,3,4-oxadiazole 、 甲胺三氟乙酸盐,三氟乙酸甲胺,氨基甲烷三氟乙酸盐 以 甲醇 为溶剂， 反应 24.0h， 生成 4-(4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl)-1-methyl-1H-indole
  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-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