(6R-trans)-4-<3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-quinolinyl>-1-<<2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-3-yl>methyl>-1-methylpiperazinium iodide | 132260-05-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (6R-trans)-4-<3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-quinolinyl>-1-<<2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-3-yl>methyl>-1-methylpiperazinium iodide
• 英文别名: (6R-trans)-4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-quinolinyl]-1-{[2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}-1-methylpiperazinium iodide；(6R,7R)-3-[[4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinolin-7-yl]-1-methylpiperazin-1-ium-1-yl]methyl]-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;iodide
• CAS: 132260-05-0
• 化学式: C₂₆H₂₇F₃N₅O₇S*I
• 分子量: 737.495
• InChiKey: ZNDMOSYGYMBQPE-BIMIHNQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.41
• 重原子数：
  43.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  149.25
• 氢给体数：
  3.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  氟罗沙星 在 苯甲醚 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 27.0h， 生成 (6R-trans)-4-<3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-quinolinyl>-1-<<2-carboxy-7-(formylamino)-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-3-yl>methyl>-1-methylpiperazinium iodide
  参考文献：
  名称：

  Dual-action cephalosporins: cephalosporin 3'-quaternary ammonium quinolones

  摘要：

  When cephalosporins exert their biological activity by reacting with bacterial enzymes, opening of the beta-lactam ring can lead to expulsion of the 3'-substituent. A series of cephalosporins was prepared in which antibacterial quinolones were linked to the 3'-position through a quaternary nitrogen. Like the 3'-ester-linked dual-action cephalosporins reported earlier, these compounds demonstrated a broad spectrum of antibacterial activity derived from cephalosporin-like and quinolone-like components, suggesting a dual mode of action.

  DOI：

  10.1021/jm00106a031

文献信息

• ALBRECHT, HARRY A.;BESKID, GEORGE;CHRISTENSON, JAMES G.;DURKIN, JOANNE W.+, J. MED. CHEM., 34,(1991) N, C. 669-675
  作者：ALBRECHT, HARRY A.、BESKID, GEORGE、CHRISTENSON, JAMES G.、DURKIN, JOANNE W.+

  DOI：——

  日期：——