<6R-<6α,7β(Z)>>-7-<<(2-amino-4-thiazolyl)<(1-carboxy-1-methylethoxy)imino>acetyl>amino>-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxyl.. | 127142-88-5

• 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)>>-7-<<(2-amino-4-thiazolyl)<(1-carboxy-1-methylethoxy)imino>acetyl>amino>-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxyl..
• 英文别名: [6R-(6α,7β(Z))]-7-({(2-amino-4-thiazolyl)[(1-carboxy-1-methylethoxy)imino]acetyl}amino)-3-[({[4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl]carbonyl}oxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxyl..；(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazine-1-carbonyl]oxymethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 127142-88-5
• 化学式: C₃₅H₃₅FN₈O₁₂S₂
• 分子量: 842.84
• InChiKey: HGCHVFOSRIRASP-LAJQIWBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  58
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  328
• 氢给体数：
  5
• 氢受体数：
  20

反应信息

• 作为产物：
  描述：

  头孢他啶侧链酸活性酯 在 potassium hydrogencarbonate 、 苯甲醚 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 <6R-<6α,7β(Z)>>-7-<<(2-amino-4-thiazolyl)<(1-carboxy-1-methylethoxy)imino>acetyl>amino>-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxyl..
  参考文献：
  名称：

  Dual-action cephalosporins: cephalosporin 3'-quinolone carbamates

  摘要：

  A series of cephalosporins has been prepared in which the 3'-position was linked to the nitrogen of the antibacterial quinolone ciprofloxacin through a carbamate function. Like the ester-linked and quaternary-linked dual-action cephalosporins reported earlier, these carbamate-linked compounds exhibited a broad antibacterial spectrum derived from both cephalosporin-like and quinolone-like activities, suggesting a dual mode of action. Studies to elucidate details of the mechanism of action have been inconclusive. Ciprofloxacin liberated as a consequence of bacterial enzyme-mediated reactions may contribute to the second mode of action, although some evidence indicates that the intact carbamate-linked bifunctional molecules may possess intrinsically both beta-lactam and quinolone activities.

  DOI：

  10.1021/jm00113a026

文献信息

• Cephalosporinderivate
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0335297B1

  公开（公告）日：1996-03-13
• US5336768A
  申请人：——

  公开号：US5336768A

  公开（公告）日：1994-08-09