4-[4-(3-Chlorophenyl)piperazin-1-yl]-2-phenylquinazoline | 1401688-34-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-[4-(3-Chlorophenyl)piperazin-1-yl]-2-phenylquinazoline
• 英文别名: 4-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylquinazoline
• CAS: 1401688-34-3
• 化学式: C₂₄H₂₁ClN₄
• 分子量: 400.911
• InChiKey: KBBKNJGHCAIRMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-苯基-4-[3H]喹唑啉酮 在 potassium carbonate 、 三氯氧磷 作用下， 以 异丙醇 为溶剂， 反应 8.0h， 生成 4-[4-(3-Chlorophenyl)piperazin-1-yl]-2-phenylquinazoline
  参考文献：
  名称：

  4-Substituted-2-phenylquinazolines as inhibitors of BCRP

  摘要：

  We investigated several 2-phenylquinazolines with different substitutions at position 4 for their BCRP inhibition. Compounds with phenyl ring attached via an amine-containing linker at position 4 were found to be potent inhibitors of BCRP. In general compounds with meta substitution of phenyl ring at position 4 were found to have higher inhibitory effect, compound 12 being the most potent and selective towards BCRP. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.08.024