(6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[1-diphenylmethyloxycarbonyl-1-(3,4-diacetoxyphenyl)ethyl]oxyimino]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 | 106773-18-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: (6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[1-diphenylmethyloxycarbonyl-1-(3,4-diacetoxyphenyl)ethyl]oxyimino]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
• 英文别名: benzhydryl (6R,7R)-3-[(2-benzhydryloxycarbonyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanylmethyl]-7-[[(2Z)-2-[1-benzhydryloxy-2-(3,4-diacetyloxyphenyl)-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 106773-18-6
• 化学式: C₉₁H₇₃N₉O₁₃S₃
• 分子量: 1596.83
• InChiKey: KEWLODFEMYKBTO-VJEWLVEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  116
• 可旋转键数：
  33
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  349
• 氢给体数：
  2
• 氢受体数：
  22

反应信息

• 作为反应物：
  描述：

  (6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[1-diphenylmethyloxycarbonyl-1-(3,4-diacetoxyphenyl)ethyl]oxyimino]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 、 三氟乙酸 、 水 生成 (6R,7R)-7-[2-(2-amino-4-thiazolyl)-2-[Z-[1-carboxy-1-(3,4-diacetoxyphenyl)ethyl]oxyimino]acetamido]-3-[(2-carboxy5-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
  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-amino-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 、 2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[1-diphenylmethyloxycarbonyl-1-(3,4-diacetoxyphenyl)ethyl]oxyimino]acetic acid 生成 (6R,7R)-7-[2-(2-triphenylmethylamino-4-thiazolyl)-2-[Z-[1-diphenylmethyloxycarbonyl-1-(3,4-diacetoxyphenyl)ethyl]oxyimino]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
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• Cephalosporin derivatives
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP0197409A1

  公开（公告）日：1986-10-15

  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、其制备工艺、包含新型头孢菌素衍生物作为活性成分的预防和/或治疗传染性疾病的组合物，以及合成头孢菌素衍生物的中间化合物及其生产工艺。 本发明的基础是选择含有缩合杂环的基团，特别是三唑并嘧啶环或噻二唑并嘧啶环，作为头孢菌素骨架 3-位上的取代基，并选择含有邻苯二酚分子的基团，特别是邻苯二酚羧甲基亚氨基分子或邻苯二酚羧基亚氨基分子，作为头孢菌素骨架 7-位上的取代基。 含有上述取代基的本发明化合物对革兰氏阴性菌和革兰氏阳性菌（包括耐甲氧西林金黄色葡萄球菌）具有很强的抗菌活性。这些化合物对治疗传染性疾病极为有用。
• US4840945A
  申请人：——

  公开号：US4840945A

  公开（公告）日：1989-06-20
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  公开号：US4904791A

  公开（公告）日：1990-02-27
• US4956474A
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  公开（公告）日：1990-09-11
• US5001121A
  申请人：——

  公开号：US5001121A

  公开（公告）日：1991-03-19