N,N,N-Trimethyl-2-(3-(ethoxycarbonyl)-7-chloro-6-fluoro-4-oxo-1,4-dihydro-1-quinolinyl)propanaminium iodide | 116143-24-9

• 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: N,N,N-Trimethyl-2-(3-(ethoxycarbonyl)-7-chloro-6-fluoro-4-oxo-1,4-dihydro-1-quinolinyl)propanaminium iodide
• 英文别名: 2-(7-chloro-3-ethoxycarbonyl-6-fluoro-4-oxoquinolin-1-yl)propyl-trimethylazanium;iodide
• CAS: 116143-24-9
• 化学式: C₁₈H₂₃ClFN₂O₃*I
• 分子量: 496.748
• InChiKey: NERZWAVHLJMSTM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N,N,N-Trimethyl-2-(3-(ethoxycarbonyl)-7-chloro-6-fluoro-4-oxo-1,4-dihydro-1-quinolinyl)propanaminium iodide 在 1-甲基吡咯烷 、 sodium hydroxide 、 Dowex 1 (OH form) 作用下， 以 甲醇 为溶剂， 反应 6.5h， 生成 7-Piperazinyl-6-fluoro-1,4-dihydro-4-oxo-1-(1-methylethenyl)-3-quinolinecarboxylic acid
  参考文献：
  名称：

  Fluoronaphthyridines and quinolones as antibacterial agents. 1. Synthesis and structure-activity relationship of new 1-substituted derivatives

  摘要：

  A series of novel 7-piperazinyl-1-substituted-6-fluoroquinolones and naphthyridines have been prepared and their antibacterial activities evaluated. These derivatives are characterized by having alkyl, alkenyl, arylalkyl, cycloalkyl, and cycloalkenyl groups at the 1-position. As a result of this study, derivatives 7 and 26, which are substituted with tert-butyl groups at N-1, were found to possess excellent in vitro and in vivo potency, particularly against Staphylococcus aureus, comparable to that of norfloxacin or ciprofloxacin. Structure-activity relationships of N-1 substituted alkyls and cycloalkyls are also discussed.

  DOI：

  10.1021/jm00123a005
• 作为产物：
  描述：

  1-(二甲基氨基)-2-丙胺 在 sodium hydride 作用下， 以 1,4-二氧六环 、 乙醇 、 丙酮 为溶剂， 反应 5.0h， 生成 N,N,N-Trimethyl-2-(3-(ethoxycarbonyl)-7-chloro-6-fluoro-4-oxo-1,4-dihydro-1-quinolinyl)propanaminium iodide
  参考文献：
  名称：

  Fluoronaphthyridines and quinolones as antibacterial agents. 1. Synthesis and structure-activity relationship of new 1-substituted derivatives

  摘要：

  A series of novel 7-piperazinyl-1-substituted-6-fluoroquinolones and naphthyridines have been prepared and their antibacterial activities evaluated. These derivatives are characterized by having alkyl, alkenyl, arylalkyl, cycloalkyl, and cycloalkenyl groups at the 1-position. As a result of this study, derivatives 7 and 26, which are substituted with tert-butyl groups at N-1, were found to possess excellent in vitro and in vivo potency, particularly against Staphylococcus aureus, comparable to that of norfloxacin or ciprofloxacin. Structure-activity relationships of N-1 substituted alkyls and cycloalkyls are also discussed.

  DOI：

  10.1021/jm00123a005

文献信息

• WEBER, ABRAHAM;BOUZARD, DANIEL;ESSIZ, MUNIR;CESARE, PIERRE D.;JACQUET, JE+
  作者：WEBER, ABRAHAM、BOUZARD, DANIEL、ESSIZ, MUNIR、CESARE, PIERRE D.、JACQUET, JE+

  DOI：——

  日期：——