rac-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-7-oxo-4-thia-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylic acid monosodium salt | 140928-33-2

• 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: rac-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-7-oxo-4-thia-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylic acid monosodium salt
• 英文别名: Sodium;7-[4-[(2-carboxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl)methoxycarbonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate；sodium;7-[4-[(2-carboxy-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl)methoxycarbonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate
• CAS: 140928-33-2
• 化学式: C₂₅H₂₂FN₄O₈S*Na
• 分子量: 580.526
• InChiKey: DLYVVKGXTWHBDG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  176
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  环丙沙星 在 四(三苯基膦)钯 、 三苯基膦 、 sodium 2-ethylhexanoic acid 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 4.84h， 生成 rac-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-7-oxo-4-thia-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylic acid monosodium salt
  参考文献：
  名称：

  Dual-action penems and carbapenems

  摘要：

  Two new series of dual-action antibacterial agents were synthesized in which penems and carbapenems were linked at the 2'-position to quinolones through either an ester or a carbamate moiety. Potent, broad-spectrum antibacterial activity was observed for both classes of compounds, indicative of a dual-mode of action.

  DOI：

  10.1021/jm00088a019

文献信息

• Dual-action penems and carbapenems
  作者：Alfred J. Corraz、Scott L. Dax、Norma K. Dunlap、Nafsika H. Georgopapadakou、Dennis D. Keith、David L. Pruess、Pamela L. Rossman、Rudolf Then、Joel Unowsky、Chung Chen Wei

  DOI：10.1021/jm00088a019

  日期：1992.5

  Two new series of dual-action antibacterial agents were synthesized in which penems and carbapenems were linked at the 2'-position to quinolones through either an ester or a carbamate moiety. Potent, broad-spectrum antibacterial activity was observed for both classes of compounds, indicative of a dual-mode of action.