| 1207610-57-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1207610-57-8
• 化学式: C₁₂H₁₂NOS*I
• 分子量: 345.204
• InChiKey: ULZHOSHZHMRXQJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.77
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  20.95
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-furan-3-yl-1-(3-methyl-thiophen-2-yl)-propenone 、 在 ammonium acetate 作用下， 以 甲醇 为溶剂， 生成 C₁₉H₁₅NOS₂
  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
• 作为产物：
  描述：

  吡啶 、 2-乙酰-3-甲基噻吩 在 碘 作用下， 以100%的产率得到
  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