(6R,7R)-7-amino-3-[(2-amino-6-hydroxy-4-pyrimidinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 306748-31-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (6R,7R)-7-amino-3-[(2-amino-6-hydroxy-4-pyrimidinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• 英文别名: (6R,7R)-7-amino-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 306748-31-2
• 化学式: C₁₁H₁₁N₅O₄S₂
• 分子量: 341.371
• InChiKey: PZMQNQGOWVCWJR-HZGVNTEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  202
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (6R,7R)-7-amino-3-[(2-amino-6-hydroxy-4-pyrimidinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 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-(2-Amino-5-chloro-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-(2-amino-6-hydroxy-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：

  (6R,7R)-7-Amino-3-(2-amino-6-hydroxy-pyrimidin-4-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester 在 三氟乙酸 作用下， 以 苯甲醚 为溶剂， 生成 (6R,7R)-7-amino-3-[(2-amino-6-hydroxy-4-pyrimidinyl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[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

文献信息

• Novel cephalosporin compounds and process for preparing the same
  申请人：——

  公开号：US20030162763A1

  公开（公告）日：2003-08-28

  The present invention relates to a novel cephalosporin compound and pharmaceutically acceptable non-toxic salt, physiologically hydrolysable ester, hydrate, solvate or isomer thereof, to a pharmaceutical composition containing the compound and to a process for preparing the compound.

  本发明涉及一种新型头孢菌素化合物及其药学上可接受的非毒性盐、生理可水解酯、水合物、溶剂化合物或异构体，以及含有该化合物的药物组合物和制备该化合物的方法。
• NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME
  申请人：LG Chem Investment, Ltd.

  公开号：EP1299396A1

  公开（公告）日：2003-04-09
• EP1299396A4
  申请人：——

  公开号：EP1299396A4

  公开（公告）日：2004-02-04
• [EN] NOVEL CEPHALOSPORIN COMPOUNDS AND PROCESS FOR PREPARING THE SAME<br/>[FR] NOUVEAUX COMPOSES DE CEPHALOSPORINE ET PROCEDES DE PREPARATION DE CES DERNIERS
  申请人：LG CHEM INVESTMENT LTD

  公开号：WO2002004463A1

  公开（公告）日：2002-01-17

  The present invention relates to a novel cephalosporin compound and pharmaceutically acceptable non-toxic salt, physiologically hydrolysable ester, hydrate, solvate or isomer thereof, to a pharmaceutical composition containing the compound and to a process for preparing the compound.
• Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins including against respiratory tract pathogens
  作者：Chang-Seok Lee、Eun-Jung Ryu、Seong Ho Oh、Kyoung-Sook Paek、Mu Yong Kim、Hasik Youn

  DOI：10.1016/s0960-894x(00)00425-x

  日期：2000.9

  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.