7-(2-(4-benzylpiperazin-1-yl)ethoxy)-5-hydroxy-2-phenyl-4H-chromen-4-one | 1236122-53-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 7-(2-(4-benzylpiperazin-1-yl)ethoxy)-5-hydroxy-2-phenyl-4H-chromen-4-one
• 英文别名: 7-[2-(4-Benzylpiperazin-1-yl)ethoxy]-5-hydroxy-2-phenylchromen-4-one
• CAS: 1236122-53-4
• 化学式: C₂₈H₂₈N₂O₄
• 分子量: 456.541
• InChiKey: RJGUZQNWGJTNKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  62.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  白杨素 在 potassium carbonate 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 24.0h， 生成 7-(2-(4-benzylpiperazin-1-yl)ethoxy)-5-hydroxy-2-phenyl-4H-chromen-4-one
  参考文献：
  名称：

  Synthesis and cytotoxicity of novel chrysin derivatives

  摘要：

  A series of chrysin derivatives 8a-8v were prepared and tested in vitro against HCT-116 (human colon cancer cell line), Hela (human cervical carcinoma cell line), DU-145 (human prostate cell line), K562 (human leukemia cell line), and SGC-7901 (human gastric cancer cell line). The chemical structures of these compounds were confirmed by means of MS, IR, H-1 NMR, C-13 NMR, and elemental analysis. Among these derivatives, 7-(2-(piperazin-1-yl)ethoxy)-5-hydroxy-2-phenyl-4H-chromen-4-one, 8n, had the strongest activity against HCT-116, Hela, DU-145, K562, and SGC-7901 cells.

  DOI：

  10.1007/s00044-010-9395-1

文献信息

• Synthesis and cytotoxicity of novel chrysin derivatives
  作者：Kun Hu、Wei Wang、Hong Cheng、ShaSha Pan、Jie Ren

  DOI：10.1007/s00044-010-9395-1

  日期：2011.9

  A series of chrysin derivatives 8a-8v were prepared and tested in vitro against HCT-116 (human colon cancer cell line), Hela (human cervical carcinoma cell line), DU-145 (human prostate cell line), K562 (human leukemia cell line), and SGC-7901 (human gastric cancer cell line). The chemical structures of these compounds were confirmed by means of MS, IR, H-1 NMR, C-13 NMR, and elemental analysis. Among these derivatives, 7-(2-(piperazin-1-yl)ethoxy)-5-hydroxy-2-phenyl-4H-chromen-4-one, 8n, had the strongest activity against HCT-116, Hela, DU-145, K562, and SGC-7901 cells.