1-[[5-(2-Chlorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]methyl]-4-methyl-piperazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-[[5-(2-Chlorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]methyl]-4-methyl-piperazine
• 英文别名: 1-[[5-(2-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]methyl]-4-methylpiperazine
• 化学式: C₂₃H₂₆ClN₃
• 分子量: 379.933
• InChiKey: OSNXYDKTIBGYOP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  11.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(2-氯苯基)戊烷-1,4-二酮 在 溶剂黄146 作用下， 以 水 、 乙腈 为溶剂， 反应 3.0h， 生成 1-[[5-(2-Chlorophenyl)-2-methyl-1-phenyl-pyrrol-3-yl]methyl]-4-methyl-piperazine
  参考文献：
  名称：

  Antimycobacterial compounds. New pyrrole derivatives of BM212

  摘要：

  We have identified BM212 as a lead compound among a series of pyrrole derivatives with good in vitro activity against mycobacteria and candidae. First studies led us to synthesize some pyrrole compounds in which the thiomorpholine fragment was present. Some compounds revealed very active and these findings prompted us to prepare new pyrrole derivatives 2-15 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.037

文献信息

• Antimycobacterial compounds. New pyrrole derivatives of BM212
  作者：Mariangela Biava、Giulio Cesare Porretta、Delia Deidda、Raffaello Pompei、Andrea Tafi、Fabrizio Manetti

  DOI：10.1016/j.bmc.2003.12.037

  日期：2004.3

  We have identified BM212 as a lead compound among a series of pyrrole derivatives with good in vitro activity against mycobacteria and candidae. First studies led us to synthesize some pyrrole compounds in which the thiomorpholine fragment was present. Some compounds revealed very active and these findings prompted us to prepare new pyrrole derivatives 2-15 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 2004 Elsevier Ltd. All rights reserved.