4-(5-Methylfuran-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine | 1207610-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(5-Methylfuran-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
• CAS: 1207610-65-8
• 化学式: C₁₈H₁₃NOS₂
• 分子量: 323.439
• InChiKey: HQRIYPNZENVUIG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  82.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-(5-methyl-furan-2-yl)-1-thiophen-2-yl-propenone 、 1-[2-氧代-2-(噻吩-3-基)乙基]吡啶碘化物 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 生成 4-(5-Methylfuran-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
  参考文献：
  名称：

  2,6-Dithienyl-4-furyl pyridines: Synthesis, topoisomerase I and II inhibition, cytotoxicity, structure–activity relationship, and docking study

  摘要：

  For the development of novel antitumor agents, 2,6-dithienyl-4-furyl pyridine derivatives were prepared and evaluated for their topoisomerase I and II inhibitory activity as well as cytotoxicity against several human cancer cell lines. Among the 21 prepared compounds, compound 24 exhibited strong topoisomerase I inhibitory activity. In addition, a docking study with topoisomerase I and compound 24 was performed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.041