(6R,7R)-3-Chloromethyl-7-[2-(2,5-dichloro-phenylsulfanyl)-acetylamino]-5,8-dioxo-5λ4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester | 195213-51-5

• 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,7R)-3-Chloromethyl-7-[2-(2,5-dichloro-phenylsulfanyl)-acetylamino]-5,8-dioxo-5λ4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
• CAS: 195213-51-5
• 化学式: C₂₉H₂₃Cl₃N₂O₅S₂
• 分子量: 650.003
• InChiKey: QTVVEKFYLUOLKH-HNRJYDQGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  41.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  92.78
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (6R,7R)-3-Chloromethyl-7-[2-(2,5-dichloro-phenylsulfanyl)-acetylamino]-5,8-dioxo-5λ4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester 在 二苯并-18-冠醚-6 、 三氟乙酸 、 sodium iodide 、 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and structure-activity relationship of C-3 benzoyloxymethyl cephalosporins exhibiting anti-MRSA activities

  摘要：

  A series of cephalosporins bearing C-3 benzoyloxymethyl groups were prepared and evaluated for their anti-MRSA activity and plasma stability. They exhibit excellent in vitro activity (MIC = 0.06 similar to 2 mu g/mL) against MRSA and excellent stability in human plasma. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00338-7
• 作为产物：
  描述：

  (6-R-trans)-3-(chloromethyl)-7-[[[(2,5-dichlorophenyl)thio]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以97%的产率得到(6R,7R)-3-Chloromethyl-7-[2-(2,5-dichloro-phenylsulfanyl)-acetylamino]-5,8-dioxo-5λ4-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  Synthesis and structure-activity relationship of C-3 benzoyloxymethyl cephalosporins exhibiting anti-MRSA activities

  摘要：

  A series of cephalosporins bearing C-3 benzoyloxymethyl groups were prepared and evaluated for their anti-MRSA activity and plasma stability. They exhibit excellent in vitro activity (MIC = 0.06 similar to 2 mu g/mL) against MRSA and excellent stability in human plasma. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00338-7