4-(4-(2-(4-(3-(4-benzhydrylpiperazin-1-yl)propyl)piperazin-1-yl)ethyl)phenyl)thiazol-2-amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-(2-(4-(3-(4-benzhydrylpiperazin-1-yl)propyl)piperazin-1-yl)ethyl)phenyl)thiazol-2-amine
• 英文别名: 4-[4-[2-[4-[3-(4-Benzhydrylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]thiazol-2-amine；4-[4-[2-[4-[3-(4-benzhydrylpiperazin-1-yl)propyl]piperazin-1-yl]ethyl]phenyl]-1,3-thiazol-2-amine
• 化学式: C₃₅H₄₄N₆S
• 分子量: 580.841
• InChiKey: UMHZOLUFZKPYFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  42
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  邻氯乙苯 在 aluminum (III) chloride 、 四丁基溴化铵 、 氢溴酸 、 三乙胺 、 potassium iodide 作用下， 以 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 15.25h， 生成 4-(4-(2-(4-(3-(4-benzhydrylpiperazin-1-yl)propyl)piperazin-1-yl)ethyl)phenyl)thiazol-2-amine
  参考文献：
  名称：

  Design, synthesis and antimycobacterial evaluation of 1-(4-(2-substitutedthiazol-4-yl)phenethyl)-4-(3-(4-substitutedpiperazin-1-yl)alkyl)piperazine hybrid analogues

  摘要：

  A series of twenty six new 1-(4-(2-substitutedthiazol-4-yl)phenethyl)-4-(3-(4-substitutedpiperazin-1-yl)alkyl)piperazine analogues were synthesized by seven steps and evaluated for their anti-tubercular activity against Mycobacterium tuberculosis H37Rv strain. Among the tested compounds, 7j, 7p, and 7r exhibited moderate activity (MIC = 6.25 μg/mL) and compounds 7a, 7f, 7g, 7n and 7v exhibited good activity (MIC = 3.125 μg/mL), while 7h displayed excellent activity (MIC = 1.56 μg/mL) by inhibiting 99% growth of M. tuberculosis H37Rv strain. In addition, all the active compounds were subjected to cytotoxic studies against mouse macrophage (RAW264.7) cell lines and the selectivity index values for most of the compounds is >10 indicating suitability of compounds in an endeavour to attain lead molecule for further drug development.

  DOI：

  10.1016/j.ejmech.2014.07.067

文献信息

• Design, synthesis and antimycobacterial evaluation of 1-(4-(2-substitutedthiazol-4-yl)phenethyl)-4-(3-(4-substitutedpiperazin-1-yl)alkyl)piperazine hybrid analogues
  作者：Hunsur Nagendra Nagesh、Amaroju Suresh、Sirigina Devesh Sathya Sri Sairam、Dharmarajan Sriram、Perumal Yogeeswari、Kondapalli Venkata Gowri Chandra Sekhar

  DOI：10.1016/j.ejmech.2014.07.067

  日期：2014.9

  A series of twenty six new 1-(4-(2-substitutedthiazol-4-yl)phenethyl)-4-(3-(4-substitutedpiperazin-1-yl)alkyl)piperazine analogues were synthesized by seven steps and evaluated for their anti-tubercular activity against Mycobacterium tuberculosis H37Rv strain. Among the tested compounds, 7j, 7p, and 7r exhibited moderate activity (MIC = 6.25 μg/mL) and compounds 7a, 7f, 7g, 7n and 7v exhibited good activity (MIC = 3.125 μg/mL), while 7h displayed excellent activity (MIC = 1.56 μg/mL) by inhibiting 99% growth of M. tuberculosis H37Rv strain. In addition, all the active compounds were subjected to cytotoxic studies against mouse macrophage (RAW264.7) cell lines and the selectivity index values for most of the compounds is >10 indicating suitability of compounds in an endeavour to attain lead molecule for further drug development.