Piperazine, 1-((5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methyl- | 146204-45-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Piperazine, 1-((5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methyl-
• 英文别名: 1-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
• CAS: 146204-45-7
• 化学式: C₂₃H₂₅ClFN₃
• 分子量: 397.923
• InChiKey: MMGMWSVCWJIVAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 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：
  3

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)-1,4-戊二酮 在 苯胺氢溴酸盐 、 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 Piperazine, 1-((5-(4-chlorophenyl)-1-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methyl-
  参考文献：
  名称：

  Studies on anti-Candida agents with a pyrrole moiety. Synthesis and microbiological activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives

  摘要：

  The synthesis and anti-Candida activity of some 3-aminomethyl-1,5-diaryl-2-methyl-pyrrole derivatives are reported. Some derivatives show a rather strong anti-Candida activity. On the basis of experimental results, microbiological activity of 1,5-diarylpyrroles appears to be mainly related to aminic nitrogen lone pair availability of C3 substituent of the pyrrole nucleus. The C5 and N1 substituents play an important role in modulating biological activity. Some structure-activity relationships are proposed.

  DOI：

  10.1016/0223-5234(92)90090-n

文献信息

• Importance of the thiomorpholine introduction in new pyrrole derivatives as antimycobacterial agents analogues of BM 212
  作者：Mariangela Biava、Giulio Cesare Porretta、Delia Deidda、Raffaello Pompei、Andrea Tafi、Fabrizio Manetti

  DOI：10.1016/s0968-0896(02)00455-8

  日期：2003.2

  During the course of our investigations in the field of azole antimicrobial agents, we have identified BM 212, a pyrrole derivative with good in vitro activity against mycobacteria and candidae. These findings prompted us to prepare new pyrrole derivatives 1-10 in the hope of increasing the activity. The microbiological data showed interesting in vitro activity against Mycobacterium tuberculosis and atypical mycobacteria. (C) 2002 Elsevier Science Ltd. All rights reserved.