4-[(1-Tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6-methoxyquinoline | 1415665-93-8

• 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: 4-[(1-Tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6-methoxyquinoline
• CAS: 1415665-93-8
• 化学式: C₂₀H₂₆N₆O
• 分子量: 366.466
• InChiKey: CUMCRJCSQCBRSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(1-Tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6-methoxyquinoline 在 盐酸 作用下， 以 水 为溶剂， 反应 8.0h， 以13%的产率得到6-methoxy-4-[(pyrrolidin-1-yl)(1H-tetrazol-5-yl)methyl]quinoline
  参考文献：
  名称：

  The design, synthesis, in silico ADME profiling, antiplasmodial and antimycobacterial evaluation of new arylamino quinoline derivatives

  摘要：

  A series of new arylamino quinoline derivatives was designed based on the quinine and mefloquine scaffolds and evaluated in vitro for antiplasmodial and antimycobacterial activities. A number of these compounds exhibited significant activity against the drug-sensitive 3D7 and drug-resistant K1 strains of Plasmodium falciparum. Furthermore, two compounds, 4.12b and 4.12d, also showed 94 and 98% growth inhibitory activity against non-replicating and replicating Mycobacterium tuberculosis strains, respectively. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.08.047
• 作为产物：
  描述：

  5-((4-methoxyphenylamino)methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione 在 正丁基锂 、 Dowtherm A 、 三溴化磷 作用下， 以 甲醇 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.41h， 生成 4-[(1-Tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6-methoxyquinoline
  参考文献：
  名称：

  The design, synthesis, in silico ADME profiling, antiplasmodial and antimycobacterial evaluation of new arylamino quinoline derivatives

  摘要：

  A series of new arylamino quinoline derivatives was designed based on the quinine and mefloquine scaffolds and evaluated in vitro for antiplasmodial and antimycobacterial activities. A number of these compounds exhibited significant activity against the drug-sensitive 3D7 and drug-resistant K1 strains of Plasmodium falciparum. Furthermore, two compounds, 4.12b and 4.12d, also showed 94 and 98% growth inhibitory activity against non-replicating and replicating Mycobacterium tuberculosis strains, respectively. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.08.047