(6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[3,4,5-tris(chloroacetoxy)benzoyl]oxyimino]acetamido]-3-[(2-diphenylmethyloxycarbonyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-8-oxo-5-thia1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester | 112056-95-8

• 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)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[3,4,5-tris(chloroacetoxy)benzoyl]oxyimino]acetamido]-3-[(2-diphenylmethyloxycarbonyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-8-oxo-5-thia1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
• 英文别名: benzhydryl (6R,7R)-3-[(2-benzhydryloxycarbonyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-8-oxo-7-[[(2Z)-2-[3,4,5-tris[(2-chloroacetyl)oxy]benzoyl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 112056-95-8
• 化学式: C₇₈H₅₈Cl₃N₉O₁₄S₃
• 分子量: 1547.93
• InChiKey: ZDYPWVLSXGPLFV-PQOPIQCYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  107
• 可旋转键数：
  33
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  366
• 氢给体数：
  2
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  (6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[3,4,5-tris(chloroacetoxy)benzoyl]oxyimino]acetamido]-3-[(2-diphenylmethyloxycarbonyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-8-oxo-5-thia1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester 、 三氟乙酸 、 水 生成 (6R,7R)-7-[2-(2-amino-4-thiazolyl)-2-[Z-[3,4,5-tris(chloroacetoxy)benzoyl]oxyimino]acetamido]-3-[(2-carboxy-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-8-oxo-5thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  OHNISHI, HARUO;KOSUZUME, HIROSHI;MIZOTA, MASAHIRO;SUZUKI, YASUO;MOCHIDA, +

  摘要：

  DOI：
• 作为产物：
  描述：

  (6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-(Z-hydroxyimino)acetamido]3-[(2-diphenylmethyloxycarbonyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester 、 3,4,5-Tris(chloroacetoxy)benzoyl chloride 生成 (6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[3,4,5-tris(chloroacetoxy)benzoyl]oxyimino]acetamido]-3-[(2-diphenylmethyloxycarbonyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-8-oxo-5-thia1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester
  参考文献：
  名称：

  OHNISHI, HARUO;KOSUZUME, HIROSHI;MIZOTA, MASAHIRO;SUZUKI, YASUO;MOCHIDA, +

  摘要：

  DOI：

文献信息

• Intermediates of cephalosporin compounds
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US04956474A1

  公开（公告）日：1990-09-11

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The present invention is based on the selection of groups containing a condensed heterocyclic ring, particularly a triazolopyrimidine ring or a thiadiazolopyrimidine ring, as substituents at the 3-position of the cephem skeleton, and of groups containing a catechol moiety, particularly a catechol carboxymethyloxyimino moiety or a catechol carboxyimino moiety, as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against Gram-negative bacteria and also against Gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新的头孢菌素衍生物、其制备方法、以新的头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间体和生产方法。本发明基于在头孢菌素骨架的3位选择含有紧缩杂环环，特别是三唑嘧啶环或噻唑嘧啶环的取代基，以及在头孢菌素骨架的7位选择含有儿茶酚基团，特别是儿茶酚羧甲氧基亚胺基团或儿茶酚羧基亚胺基团的取代基。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强大的抗菌活性。这些化合物对于治疗传染病非常有用。
• Cephalosporin derivatives
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US04840945A1

  公开（公告）日：1989-06-20

  The present invention relates to novel cephalosporin derivatives, processes for preparing thereof, compositions for preventing and/or treating infectious diseases which comprise the novel cephalosporin derivatives as active components, and the intermediate compounds in the synthesis of cephalosporin derivatives and processes for producing thereof. The present invention is based on the selection of groups containing a condensed heterocyclic ring, particularly a triazolopyrimidine ring or a thiadiazolopyrimidine ring, as substituents at the 3-position of the cephem skeleton, and of groups containing a catechol moiety, particularly a catechol carboxymethyloxyimino moiety or a catechol carboxyimino moiety, as substituents at the 7-position of the cephem skeleton. The compounds of the present invention containing the aforementioned substituents have a strong antibacterial activity against Gram-negative bacteria and also against Gram-positive bacteria including methicillin-resistant Staphylococcus aureus. These compounds are extremely useful for the treatment of infectious diseases.

  本发明涉及新型头孢菌素衍生物，其制备方法，包含新型头孢菌素衍生物作为活性成分的预防和/或治疗传染病的组合物，以及头孢菌素衍生物合成中的中间化合物和其制备方法。本发明基于选择含有紧缩杂环环，特别是三唑嘧啶环或噻唑嘧啶环的基团，作为头孢菌素骨架的3位取代基，以及含有邻苯二酚基团，特别是邻苯二酚羧甲氧基亚胺基团或邻苯二酚羧基亚胺基团，作为头孢菌素骨架的7位取代基。本发明中含有上述取代基的化合物对革兰氏阴性菌和包括甲氧西林耐药金黄色葡萄球菌在内的革兰氏阳性菌具有强烈的抗菌活性。这些化合物对于治疗传染病非常有用。
• US4840945A
  申请人：——

  公开号：US4840945A

  公开（公告）日：1989-06-20
• US4956474A
  申请人：——

  公开号：US4956474A

  公开（公告）日：1990-09-11
• US5001121A
  申请人：——

  公开号：US5001121A

  公开（公告）日：1991-03-19