<6R-<6α,7β(Z)>>-1-<<<<(2-amino-4-thiazolyl)(methoxyimino)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-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolinyl>-1-methylpiperazinum iodide | 127188-27-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: <6R-<6α,7β(Z)>>-1-<<<<(2-amino-4-thiazolyl)(methoxyimino)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-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolinyl>-1-methylpiperazinum iodide
• 英文别名: [6R-(6α,7β(Z))]-1-[({[(2-amino-4-thiazolyl)(methoxyimino)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-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolinyl]-1-methylpiperazinum iodide；(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[4-[3-carboxy-6,8-difluoro-1-(2-fluoroethyl)-4-oxoquinolin-7-yl]-1-methylpiperazin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;iodide
• CAS: 127188-27-6
• 化学式: C₃₁H₃₂F₃N₈O₈S₂*I
• 分子量: 892.676
• InChiKey: MJIKDETZQSDQDL-HCPMSARHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.95
• 重原子数：
  53.0
• 可旋转键数：
  11.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  209.75
• 氢给体数：
  4.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  7β-<2-(2-aminothiazol-4yl)-2-(Z)-methoximinoacetamide>-3-iodomethyl-2-<(trimethylsilyloxy)carbonyl>cephalosporin 在 四氢呋喃 、 甲醇 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 <6R-<6α,7β(Z)>>-1-<<<<(2-amino-4-thiazolyl)(methoxyimino)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-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-quinolinyl>-1-methylpiperazinum 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：——