7-[(2'-carboethoxy-1'-methylvinyl)amino]-8-methylquinoline | 557084-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-[(2'-carboethoxy-1'-methylvinyl)amino]-8-methylquinoline
• 英文别名: ethyl 3-[(8-methylquinolin-7-yl)amino]but-2-enoate
• CAS: 557084-72-7
• 化学式: C₁₆H₁₈N₂O₂
• 分子量: 270.331
• InChiKey: HLMSJNNBDGWOQH-UHFFFAOYSA-N

物化性质

• 沸点：
  420.3±45.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.42
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.22
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-[(2'-carboethoxy-1'-methylvinyl)amino]-8-methylquinoline 在 氢氧化钾 、 四丁基溴化铵 作用下， 以 二苯醚 、 水 、 甲苯 为溶剂， 反应 25.0h， 生成 N-[2-(2,10-dimethylpyrido[3,2-g]quinolin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
  参考文献：
  名称：

  The interaction between resistance modifiers such as pyrido[3,2-g]quinoline, aza-oxafluorene and pregnane derivatives with DNA, plasmid DNA and tRNA

  摘要：

  Various resistance mechanisms such as complex formation with DNA, tRNA and MDR1 p-glycoprotein were modified in bacteria and cancer cells in presence of pregnane, pyridoquinoline, and aza-oxafluorene derivatives. Interaction between the compounds, plasmid DNA and tRNA was shown and compared to the interaction with calf thymus DNA. Complex formation with MDR1 p-glycoprotein and drug accumulation increased in cancer cells. Both plasmid DNA and p-gp complex formation were related to the chemical structures of the resistance modifiers. (C) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.10.011
• 作为产物：
  描述：

  2,6-二氨基甲苯 在 calcium sulfate 、 arsenic(V) oxide 、 硫酸 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 124.0h， 生成 7-[(2'-carboethoxy-1'-methylvinyl)amino]-8-methylquinoline
  参考文献：
  名称：

  The interaction between resistance modifiers such as pyrido[3,2-g]quinoline, aza-oxafluorene and pregnane derivatives with DNA, plasmid DNA and tRNA

  摘要：

  Various resistance mechanisms such as complex formation with DNA, tRNA and MDR1 p-glycoprotein were modified in bacteria and cancer cells in presence of pregnane, pyridoquinoline, and aza-oxafluorene derivatives. Interaction between the compounds, plasmid DNA and tRNA was shown and compared to the interaction with calf thymus DNA. Complex formation with MDR1 p-glycoprotein and drug accumulation increased in cancer cells. Both plasmid DNA and p-gp complex formation were related to the chemical structures of the resistance modifiers. (C) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2004.10.011