(S,S)-3,3'-(piperazine-1,4-diyl) bis[1-(bis(4-bromophenyl)methoxy)propan-2-ol] | 1198155-84-8

• 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: (S,S)-3,3'-(piperazine-1,4-diyl) bis[1-(bis(4-bromophenyl)methoxy)propan-2-ol]
• 英文别名: S282426；(2S)-1-[bis(4-bromophenyl)methoxy]-3-[4-[(2S)-3-[bis(4-bromophenyl)methoxy]-2-hydroxy-propyl]piperazin-1-yl]propan-2-ol；(2S)-1-[bis(4-bromophenyl)methoxy]-3-[4-[(2S)-3-[bis(4-bromophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
• CAS: 1198155-84-8
• 化学式: C₃₆H₃₈Br₄N₂O₄
• 分子量: 882.325
• InChiKey: DYOBYBGEQNJWAA-HEVIKAOCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  46
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  65.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌嗪 、 以 甲醇 为溶剂， 反应 20.0h， 生成 (S,S)-3,3'-(piperazine-1,4-diyl) bis[1-(bis(4-bromophenyl)methoxy)propan-2-ol]
  参考文献：
  名称：

  Synthesis and evaluation of (S,S)-N,N′-bis-[3-(2,2′,6,6′-tetramethylbenzhydryloxy)-2-hydroxy-propyl]-ethylenediamine (S2824) analogs with anti-tuberculosis activity

  摘要：

  In order to identify new and potent candidate drugs to treat tuberculosis, a library of compounds was screened, and (S,S)-N,N '-bis-[3-(2,2 ',6,6 '-tetramethylbenzhydryloxy)-2-hydroxy-propyl]-ethylenediamine (S2824) was identified as a hit in the screen. This research discusses our efforts to synthesize and test 30 analogs of this hit for activity against Mycobacterium tuberculosis. Two compounds with homopiperazine ring possess high in vitro activity against drug sensitive and resistant M. tuberculosis with MICs 0.78-3.13 mu g/mL (or 1.22-4.88 mu M). (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.035