(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(R)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-3-[[1-(methylamino)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

• 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-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(R)-carboxy-(3,4-dihydroxyphenyl)methoxy]iminoacetyl]amino]-3-[[1-(methylamino)pyridin-1-ium-4-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C27H25N7O9S3
• 分子量: 687.7
• InChiKey: YNDZMNDTQCDTBB-ZILOHOTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  46
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  323
• 氢给体数：
  6
• 氢受体数：
  16

文献信息

• Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates
  申请人：BEECHAM GROUP PLC

  公开号：EP0416814A2

  公开（公告）日：1991-03-13

  7β-[2-(aminothiazolyl and thiadiazolyl)-2-oxyiminoacetamido]cephalosporin derivatives having a 3-[N-(optionally substituted) aminopyridiniumthiomethyl] substituent have antibacterial activity and are of use in antibacterial therapy. Processes for the preparation of such cephalosporins plus intermediates for use in the preparation thereof, including N-(optionally substituted)amino-thiopyridones, are also described.

  7β-[2-(氨基噻唑基和噻二唑基)-2-氧亚氨基乙酰氨基]头孢菌素衍生物具有 3-[N-(任选取代的)氨基吡啶硫甲基]取代基，具有抗菌活性，可用于抗菌治疗。此外，还介绍了制备此类头孢菌素的工艺以及用于制备此类头孢菌素的中间体，包括 N-（任选取代的）氨基硫代吡啶酮。
• Antibacterial cephalosporin derivatives
  申请人：PFIZER INC.

  公开号：EP0416814B1

  公开（公告）日：2002-04-24
• CEPHALOSPORINS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Beecham Group p.l.c.

  公开号：EP0521887A1

  公开（公告）日：1993-01-13
• [EN] CEPHALOSPORINS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：BEECHAM GROUP PLC

  公开号：WO1991014692A1

  公开（公告）日：1991-10-03

  (EN) A group of 3-(optionally substituted N-aminopyridinium thiomethyl)cephalosporin derivatives and pharmaceutical compositions thereof are of use in antibacterial therapy.(FR) Groupe de dérivés de 3-(thiométhyle de N-aminopyridinium éventuellement substitué) céphalosporine et leurs compositions pharmaceutiques utilisés en thérapie antibactérienne.