(6R,7R)-7-Amino-3-(2,6-diamino-pyrimidin-4-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester | 250597-81-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (6R,7R)-7-Amino-3-(2,6-diamino-pyrimidin-4-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
• CAS: 250597-81-0
• 化学式: C₂₄H₂₂N₆O₃S₂
• 分子量: 506.609
• InChiKey: BZWNSDSOGJCEMJ-XMSQKQJNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.52
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  150.45
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (6R,7R)-7-Amino-3-(2,6-diamino-pyrimidin-4-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester 在 吡啶 、 N,O-双三甲硅基乙酰胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 苯甲醚 为溶剂， 生成 (6R,7R)-7-{2-(5-Amino-[1,2,4]thiadiazol-3-yl)-2-[(Z)-ethoxyimino]-acetylamino}-3-(2,6-diamino-pyrimidin-4-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  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：

  2,4-二氨基-6-巯基嘧啶 、 diphenylmethyl (-)-(6R,7R)-7-amino-8-oxo-3-methanesulfonyloxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate hydrochloride 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 (6R,7R)-7-Amino-3-(2,6-diamino-pyrimidin-4-ylsulfanyl)-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