3-(2-(5-methoxy-1H-indol-3-yl)ethyl)quinazolin-4(3H)-one | 1616559-72-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(2-(5-methoxy-1H-indol-3-yl)ethyl)quinazolin-4(3H)-one
• CAS: 1616559-72-8
• 化学式: C₁₉H₁₇N₃O₂
• 分子量: 319.363
• InChiKey: KCLUDPOIAIVSDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  59.91
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-2-aminobenzamide 、 原甲酸三乙酯 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 6.0h， 以75%的产率得到3-(2-(5-methoxy-1H-indol-3-yl)ethyl)quinazolin-4(3H)-one
  参考文献：
  名称：

  Optimization of Rutaecarpine as ABCA1 Up-Regulator for Treating Atherosclerosis

  摘要：

  ATP-binding cassette transporter A1 (ABCA1) is a key transporter and receptor in promoting cholesterol efflux, and increasing the expression level of ABCA1 is antiatherogenic. In our previous study, rutaecarpine (RUT) was found to protect ApoE(-/-) mice from developing atherosclerosis through preferentially up-regulating ABCA1 expression. In the present work, a series of RUT derivatives were synthesized and examined as ABCA1 expression up-regulators. Compounds CD1, CD6, and BCD1-2 were found to possess the most potential activity as antiatherosclerotic agents among all compounds tested.

  DOI：

  10.1021/ml500131a