Ethyl 11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxylate | 179638-04-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫色烯
• 英文名称: Ethyl 11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxylate
• 英文别名: ethyl 9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxylate
• CAS: 179638-04-1
• 化学式: C₁₇H₁₂N₂O₃S
• 分子量: 324.36
• InChiKey: QLBPHWVCKXQXKX-UHFFFAOYSA-N

物化性质

• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-氨乙基)哌啶 、 Ethyl 11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxylate 以62%的产率得到9-oxo-N-(2-piperidin-1-ylethyl)-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide
  参考文献：
  名称：

  Novel imidazothioxanthones: Synthesis, DNA binding and cytotoxicity

  摘要：

  A new class of DNA-binding ligands (10a-f) has been synthesized and examined for DNA-binding affinity using thermal denaturation and for in vitro cytotoxicity in a number of cell lines. All the compounds were found to possess significant DNA-binding affinity which correlates with in vitro cytotoxicity across eight cell lines. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00130-8
• 作为产物：
  描述：

  3-溴丙酮酸乙酯 、 2-Amino-thiochromeno[3,2-b]pyridin-10-one 生成 Ethyl 11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxylate
  参考文献：
  名称：

  Novel imidazothioxanthones: Synthesis, DNA binding and cytotoxicity

  摘要：

  A new class of DNA-binding ligands (10a-f) has been synthesized and examined for DNA-binding affinity using thermal denaturation and for in vitro cytotoxicity in a number of cell lines. All the compounds were found to possess significant DNA-binding affinity which correlates with in vitro cytotoxicity across eight cell lines. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00130-8

文献信息

• Novel imidazothioxanthones: Synthesis, DNA binding and cytotoxicity
  作者：A. Varvaresou、A. Tsotinis、Th. Siatra-Papastaikoudi、A. Papadaki-Valiraki、D.E. Thurston、T.C. Jenkins、L.R. Kelland

  DOI：10.1016/0960-894x(96)00130-8

  日期：1996.4

  A new class of DNA-binding ligands (10a-f) has been synthesized and examined for DNA-binding affinity using thermal denaturation and for in vitro cytotoxicity in a number of cell lines. All the compounds were found to possess significant DNA-binding affinity which correlates with in vitro cytotoxicity across eight cell lines. Copyright (C) 1996 Elsevier Science Ltd