<6R-<6α,7β(Z)>>-1-<<7-<<(2-amino-4-thiazolyl)<<2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy>imino>acetyl>amino>-2-carboxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-3-yl>methyl>-4-<3-carboxy-6,8-difluoro-(2-fluoroethyl)-1,4-dihydro-4-oxoquinolin-7..> | 127142-81-8

• 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-<6α,7β(Z)>>-1-<<7-<<(2-amino-4-thiazolyl)<<2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy>imino>acetyl>amino>-2-carboxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-3-yl>methyl>-4-<3-carboxy-6,8-difluoro-(2-fluoroethyl)-1,4-dihydro-4-oxoquinolin-7..>
• 英文别名: [6R-(6α,7β(Z))]-1-({7-[((2-amino-4-thiazolyl){[2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy]imino}acetyl)amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl}methyl)-4-[3-carboxy-6,8-difluoro-(2-fluoroethyl)-1,4-dihydro-4-oxoquinolin-7..]
• CAS: 127142-81-8
• 化学式: C₃₈H₄₄F₃N₈O₁₀S₂*I
• 分子量: 1020.85
• InChiKey: IJLXAIHDNWVGLC-XTWXIBDGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.46
• 重原子数：
  62.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  236.05
• 氢给体数：
  4.0
• 氢受体数：
  15.0

反应信息

• 作为产物：
  描述：

  trimethylsilyl (6R,7R)-7-amino-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 在 四氢呋喃 、 甲醇 作用下， 以 乙腈 为溶剂， 反应 2.57h， 生成 <6R-<6α,7β(Z)>>-1-<<7-<<(2-amino-4-thiazolyl)<<2-(1,1-dimethylethoxy)-1,1-dimethyl-2-oxoethoxy>imino>acetyl>amino>-2-carboxy-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-3-yl>methyl>-4-<3-carboxy-6,8-difluoro-(2-fluoroethyl)-1,4-dihydro-4-oxoquinolin-7..>
  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