6,8-difluoro-7-(4-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylic acid | 1293992-90-1

• 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: 6,8-difluoro-7-(4-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 6,8-Difluoro-7-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-4-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]quinoline-3-carboxylic acid
• CAS: 1293992-90-1
• 化学式: C₃₂H₃₁F₅N₆O₃
• 分子量: 642.629
• InChiKey: VPZHXJYJELXAFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  46
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  93.1
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  6,7,8-三氟-1,4-二氢-4-氧代-3-喹啉羧酸乙酯 在 盐酸 、 水 、 sodium hydride 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 溶剂黄146 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 26.0h， 生成 6,8-difluoro-7-(4-(6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl)piperazin-1-yl)-4-oxo-1-(4-(trifluoromethyl)benzyl)-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial evaluation of novel 8-fluoro Norfloxacin derivatives as potential probes for methicillin and vancomycin-resistant Staphylococcus aureus

  摘要：

  A series of novel 8-fluoro Norfloxacin derivatives and the hybrids of its piperazinyl derivatives incorporated with 1,3,5-triazine and pyrimidine were synthesized. All the above compounds were evaluated for their antibacterial activity against Klebsiella pneumoniae, methicillin-resistant Staphylococcus aureus and methicillin & vancomycin-resistant S. aureus. Among all, compounds having Morpholine, N-methyl/phenyl/benzyl/pyrimidinyl piperazines and n-butylamine substitution at C-7 position, have shown increased potency in comparison to norfloxacin and ciprofloxacin. (c) 2011 Published by Elsevier Masson SAS.

  DOI：

  10.1016/j.ejmech.2011.01.044

文献信息

• Synthesis and antibacterial evaluation of novel 8-fluoro Norfloxacin derivatives as potential probes for methicillin and vancomycin-resistant Staphylococcus aureus
  作者：Naresh Sunduru、Leena Gupta、Kuldeep Chauhan、Nripendra N. Mishra、Praveen K. Shukla、Prem M.S. Chauhan

  DOI：10.1016/j.ejmech.2011.01.044

  日期：2011.4

  A series of novel 8-fluoro Norfloxacin derivatives and the hybrids of its piperazinyl derivatives incorporated with 1,3,5-triazine and pyrimidine were synthesized. All the above compounds were evaluated for their antibacterial activity against Klebsiella pneumoniae, methicillin-resistant Staphylococcus aureus and methicillin & vancomycin-resistant S. aureus. Among all, compounds having Morpholine, N-methyl/phenyl/benzyl/pyrimidinyl piperazines and n-butylamine substitution at C-7 position, have shown increased potency in comparison to norfloxacin and ciprofloxacin. (c) 2011 Published by Elsevier Masson SAS.