1-(2-fluorophenyl)-3-(4-methoxybenzofuran-5-yl)-5-phenyl-1H-pyrazole | 1286238-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-fluorophenyl)-3-(4-methoxybenzofuran-5-yl)-5-phenyl-1H-pyrazole
• 英文别名: 1-(2-Fluorophenyl)-3-(4-methoxy-1-benzofuran-5-yl)-5-phenylpyrazole
• CAS: 1286238-23-0
• 化学式: C₂₄H₁₇FN₂O₂
• 分子量: 384.41
• InChiKey: CZTGSWAYXMZCGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  40.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  水黄皮籽素 、 2-氟苯肼盐酸盐 在 溶剂黄146 作用下， 反应 8.0h， 以60%的产率得到1-(2-fluorophenyl)-3-(4-methoxybenzofuran-5-yl)-5-phenyl-1H-pyrazole
  参考文献：
  名称：

  Synthesis and anticancer effects of pongamol derivatives on mitogen signaling and cell cycle kinases

  摘要：

  A series of oxazole and pyrazole derivatives of pongamol (1) were designed and synthesized to examine their anti-cancer activity. The cytotoxicity of these compounds was examined in three different human tumor cell lines, IMR-32, HeLa and Jurkat. Although all compounds tested were quite effective than the pongamol against all the three different types of cancer cell lines examined, the compounds (2), (5), and (6) were found to be the most active compounds of this series.

  DOI：

  10.1007/s00044-011-9563-y