11-Oxo-11H-6-thia-3,11b-diaza-cyclopenta[a]anthracene-2-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide

• 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: 11-Oxo-11H-6-thia-3,11b-diaza-cyclopenta[a]anthracene-2-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide
• 英文别名: 11H-[1]Benzothiopyrano[2,3-e]imidazo[1,2-a]pyridine-2-carboxamide, 11-oxo-N-[2-(1-pyrrolidinyl)ethyl]-；9-oxo-N-(2-pyrrolidin-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
• 化学式: C₂₁H₂₀N₄O₂S
• 分子量: 392.481
• InChiKey: ALVQMLUYWKLULI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  92
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Amino-thiochromeno[3,2-b]pyridin-10-one 反应 16.0h， 生成 11-Oxo-11H-6-thia-3,11b-diaza-cyclopenta[a]anthracene-2-carboxylic acid (2-pyrrolidin-1-yl-ethyl)-amide
  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