3-[2,6-二(丙-2-基)苯基]-1-[2-(1-甲基吲哚-3-基)丁基]脲 | 145131-23-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-[2,6-二(丙-2-基)苯基]-1-[2-(1-甲基吲哚-3-基)丁基]脲
• 英文名称: N-(2,6-Bis(1-methylethyl)phenyl)-N'-(2-(1-methyl-1H-indol-3-yl)butyl)urea
• 英文别名: 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(1-methylindol-3-yl)butyl]urea
• CAS: 145131-23-3
• 化学式: C₂₆H₃₅N₃O
• 分子量: 405.583
• InChiKey: AYIQHRJVMJNQAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  531.6±50.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  46.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  吲哚-3-乙腈 在 sodium hydroxide 、 lithium aluminium tetrahydride 、 苄基三甲基氢氧化铵 、 sodium hydride 作用下， 以 甲醇 、 乙醚 、 异丙醚 为溶剂， 反应 10.0h， 生成 3-[2,6-二(丙-2-基)苯基]-1-[2-(1-甲基吲哚-3-基)丁基]脲
  参考文献：
  名称：

  New indole derivatives as ACAT inhibitors: synthesis and structure-activity relationships

  摘要：

  A series of ureas containing the indole group were synthesized and assessed for their ability to inhibit arterial and intestinal ACAT and to lower plasma total cholesterol in a cholesterol-fed rat model. The structural modulations carried out in this series led to compounds which proved to be very active in both the inhibition of aortic ACAT in vitro and the inhibition of rat cholesterol intestinal absorption in vivo. Several compounds from this series exhibit a remarkable hypocholesterolaemic effect with ED(25) less than 0.1 mg/kg po.

  DOI：

  10.1016/0223-5234(96)80445-4

文献信息

• New indole derivatives as ACAT inhibitors: synthesis and structure-activity relationships
  作者：R Bellemin、J Decerprit、D Festal

  DOI：10.1016/0223-5234(96)80445-4

  日期：1996.1

  A series of ureas containing the indole group were synthesized and assessed for their ability to inhibit arterial and intestinal ACAT and to lower plasma total cholesterol in a cholesterol-fed rat model. The structural modulations carried out in this series led to compounds which proved to be very active in both the inhibition of aortic ACAT in vitro and the inhibition of rat cholesterol intestinal absorption in vivo. Several compounds from this series exhibit a remarkable hypocholesterolaemic effect with ED(25) less than 0.1 mg/kg po.