(6R,7R)-3-Acetylsulfanyl-7-{2-(2-tert-butoxycarbonylamino-5-chloro-thiazol-4-yl)-2-[(Z)-trityloxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester | 250597-70-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (6R,7R)-3-Acetylsulfanyl-7-{2-(2-tert-butoxycarbonylamino-5-chloro-thiazol-4-yl)-2-[(Z)-trityloxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
• CAS: 250597-70-7
• 化学式: C₅₁H₄₄ClN₅O₈S₃
• 分子量: 986.59
• InChiKey: NILCCZBUANUCNA-PLSRRZJJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.08
• 重原子数：
  68.0
• 可旋转键数：
  14.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  165.59
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  (6R,7R)-3-Acetylsulfanyl-7-{2-(2-tert-butoxycarbonylamino-5-chloro-thiazol-4-yl)-2-[(Z)-trityloxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester 在 吗啉 、 吡啶 、 三氟乙酸 、 sodium iodide 作用下， 以 苯甲醚 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins including against respiratory tract pathogens

  摘要：

  The variety of cephalosporins 1 and 2 which possessed C(3)-aminopyrimidinyl substituents were prepared and evaluated for their antibacterial activities. They exhibited excellent in vitro activities especially against respiratory tract pathogens such as penicillin resistant Streptococus pneumonia, Moraxella catarrhalis and Haemophilus influenza. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00425-x
• 作为产物：
  描述：

  (6R,7R)-3-Acetylsulfanyl-8-oxo-7-phenylacetylamino-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester 在 吡啶 、 异丁醇 、 五氯化磷 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 生成 (6R,7R)-3-Acetylsulfanyl-7-{2-(2-tert-butoxycarbonylamino-5-chloro-thiazol-4-yl)-2-[(Z)-trityloxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins including against respiratory tract pathogens

  摘要：

  The variety of cephalosporins 1 and 2 which possessed C(3)-aminopyrimidinyl substituents were prepared and evaluated for their antibacterial activities. They exhibited excellent in vitro activities especially against respiratory tract pathogens such as penicillin resistant Streptococus pneumonia, Moraxella catarrhalis and Haemophilus influenza. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00425-x