1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-(1-tert-butyltetrazol-5-yl)-N,N-dimethylmethanamine | 1415665-97-2

• 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: 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-(1-tert-butyltetrazol-5-yl)-N,N-dimethylmethanamine
• CAS: 1415665-97-2
• 化学式: C₁₉H₂₀F₆N₆
• 分子量: 446.398
• InChiKey: SZMJVGJCALVYFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  59.7
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4-溴-2,8-二(三氟甲基)喹啉 在 正丁基锂 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 24.08h， 生成 1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-1-(1-tert-butyltetrazol-5-yl)-N,N-dimethylmethanamine
  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

文献信息

• The design, synthesis, in silico ADME profiling, antiplasmodial and antimycobacterial evaluation of new arylamino quinoline derivatives
  作者：Matshawandile Tukulula、Susan Little、Jiri Gut、Philip J. Rosenthal、Baojie Wan、Scott G. Franzblau、Kelly Chibale

  DOI：10.1016/j.ejmech.2012.08.047

  日期：2012.11

  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.