7-[4-[2-[[(4R)-4-[(2,3-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentyl]amino]-2-oxoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid | 1416579-50-4

• 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: 7-[4-[2-[[(4R)-4-[(2,3-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentyl]amino]-2-oxoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 1416579-50-4
• 化学式: C₃₁H₃₆FN₅O₉
• 分子量: 641.653
• InChiKey: MDJJLDLMSWTGSV-JOCHJYFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  46
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  189
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  (R)-tert-butyl 5-(2-chloroacetamido)-2-(2,3-diisopropoxybenzamido)pentanoate 在 三氯化硼 、 N,N-二异丙基乙胺 、 potassium iodide 作用下， 以 正庚烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 7-[4-[2-[[(4R)-4-[(2,3-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentyl]amino]-2-oxoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  Synthesis and antibacterial activity of conjugates between norfloxacin and analogues of the siderophore vanchrobactin

  摘要：

  From synthetic functionalized analogues of vanchrobactin, a siderophore produced by the fish pathogenic bacteria Vibrio anguillarum serotype O2, several vanchrobactin analogues-norfloxacin conjugates were obtained and their antimicrobial activities against the wild-type and mutant strains of Vibrio anguillarum serotype O2 have been determined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.10.028

文献信息

• Synthesis and antibacterial activity of conjugates between norfloxacin and analogues of the siderophore vanchrobactin
  作者：Alba Souto、Marcos A. Montaos、Miguel Balado、Carlos R. Osorio、Jaime Rodríguez、Manuel L. Lemos、Carlos Jiménez

  DOI：10.1016/j.bmc.2012.10.028

  日期：2013.1

  From synthetic functionalized analogues of vanchrobactin, a siderophore produced by the fish pathogenic bacteria Vibrio anguillarum serotype O2, several vanchrobactin analogues-norfloxacin conjugates were obtained and their antimicrobial activities against the wild-type and mutant strains of Vibrio anguillarum serotype O2 have been determined. (C) 2012 Elsevier Ltd. All rights reserved.