3-(acetoxymethyl)-7-(2-(3-methoxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 27915-87-3

• 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: 3-(acetoxymethyl)-7-(2-(3-methoxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• 英文别名: (6R,7R)-3-(acetoxymethyl)-7-(2-(3-methoxyphenyl)acetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid；(6R,7R)-3-(acetyloxymethyl)-7-[[2-(3-methoxyphenyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 27915-87-3
• 化学式: C₁₉H₂₀N₂O₇S
• 分子量: 420.443
• InChiKey: DTEAQYFUVYWVEG-CRAIPNDOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  148
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] CEPHALOSPORIN DERIVATIVES USEFUL AS ß-LACTAMASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE LA CÉPHALOSPORINE UTILES COMME INHIBITEURS DE LA ?-LACTAMASE ET LEURS COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：DMITRIENKO GARY IGOR

  公开号：WO2011103686A1

  公开（公告）日：2011-09-01

  The present invention relates to cephalosporin derivatives having β- lactamase inhibitory activity. The compounds are useful in preventing or treating bacterial resistance to an antibiotic, e.g. a β-lactam antibiotic. Disclosed herein are compounds that are inhibitors of class B metallo-β-lactamases, as well as class A, C, and D serine β-lactamases. In some preferred embodiments, the compounds are 3'- thiobenzoate derivatives of a cephalosporin. Pharmaceutical compositions, methods, uses, kits and commercial packages comprising the compounds are also disclosed.

  本发明涉及具有β-内酰胺酶抑制活性的头孢菌素衍生物。这些化合物在预防或治疗细菌对抗生素，例如β-内酰胺类抗生素的抗药性方面是有用的。本发明揭示了一些抑制B类金属-β-内酰胺酶以及A类、C类和D类丝氨酸β-内酰胺酶的化合物。在一些首选实施例中，这些化合物是头孢菌素的3'-硫代苯甲酸酯衍生物。此外，还披露了包含这些化合物的制药组合物、方法、用途、试剂盒和商业包装。
• CEPHALOSPORIN DERIVATIVES USEFUL AS -LACTAMASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Dmitrienko, Gary Igor

  公开号：EP2539348A1

  公开（公告）日：2013-01-02
• CEPHALOSPORIN DERIVATIVES USEFUL AS BETA-LACTAMASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Dmitrienko Gary Igor

  公开号：US20120329770A1

  公开（公告）日：2012-12-27

  The present invention relates to cephalosporin derivatives having β-lactamase inhibitory activity. The compounds are useful in preventing or treating bacterial resistance to an antibiotic, e.g. a β-lactam antibiotic. Disclosed herein are compounds that are inhibitors of class B metallo-β-lactamases, as well as class A, C, and D serine β-lactamases. In some preferred embodiments, the compounds are 3′-thiobenzoate derivatives of a cephalosporin. Pharmaceutical compositions, methods, uses, kits and commercial packages comprising the compounds are also disclosed.