7-[2-(2-thienyl)acetamido]-3-[(2-hydroxymethyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylic acid

• 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: 7-[2-(2-thienyl)acetamido]-3-[(2-hydroxymethyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylic acid
• 英文别名: (6S)-3-[[2-(hydroxymethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• 化学式: C₂₁H₂₀N₆O₅S₃
• 分子量: 532.625
• InChiKey: ADDWMFZTHQFVIH-CVMIBEPCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  229
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-噻吩乙酰氯 、 7-amino-3-(2-hydroxymethyl-5-methyl-s-triazolo[1,5-a]pyrimidin-yl)thiomethyl]-3-cephem-4-carboxylic acid 、 7-amino-3-[(2-hydroxymethyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylic acid 生成 7-[2-(2-thienyl)acetamido]-3-[(2-hydroxymethyl-5-methyl-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same
  申请人：SANKEI PHARMACEUTICAL COMPANY LIMITED

  公开号：EP0302633A2

  公开（公告）日：1989-02-08

  There are disclosed a β-lactam compound represented by the formula (I): wherein R, represents an acyl group; M represents a hydrogen atom, a protective group or an eliminatable group which is easily hydrolyzable in a human body; B represents a group represented by the formula (b): where at least one of R2, R3 and R9 represent a group represented by the formula: -A-OR4 where R4 represents a hydrogen or a lower alkyl group; and A represents a straight or branced alkylene group having 1 to 6 carbon atoms; and a remaining group or groups are each independently a hydrogen atom; a cyano group; a lower alkyl group which may be substituted by a halogen atom; a carbamoyl group which may be substituted by a lower alkyl group; a cycloalkyl group; or a carboxyl group which may be substituted by a protective group or an eliminatable group which is easily hydrolyzable in a human body, and also when Rg is -A-OR4, R2 and R3 may be combined with each other to form an alkylene group having 3 to 4 carbon atoms; and Z represents a nitrogen atom or a group represented by the formula: C-R10 where Rio represents a hydrogen atom, a carboxyl group or a lower alkyl group which may be substituted by a hydroxy group or a lower alkoxy group, or its pharmaceutically acceptable salt, and a process for preparing the same, an intermediate for synthesis of the same and a medicinal composition for bacterially infectious disease therapy containing the same.

  公开了一种由式（I）表示的β-内酰胺化合物： 其中 R 代表酰基；M 代表氢原子、保护基团或在人体内易水解的可消除基团；B 代表由式（b）表示的基团： 其中 R2、R3 和 R9 中至少有一个代表由式表示的基团：-其中 R4 代表氢或低级烷基；A 代表具有 1 至 6 个碳原子的直链或支链亚烷基；其余一个或多个基团各自独立地为氢原子；氰基；可被卤素原子取代的低级烷基；可被低级烷基取代的氨基甲酰基；当 Rg 为-A-OR4 时，R2 和 R3 可相互结合形成具有 3 至 4 个碳原子的亚烷基；Z 代表氮原子或由式表示的基团：C-R10 其中 Rio 代表氢原子、羧基或可被羟基或低级烷氧基取代的低级烷基、 或其药学上可接受的盐，以及制备上述物质、合成上述物质的中间体和含有上述物质的细菌感染性疾病治疗药物组合物的工艺。
• US4956462A
  申请人：——

  公开号：US4956462A

  公开（公告）日：1990-09-11
• US4958019A
  申请人：——

  公开号：US4958019A

  公开（公告）日：1990-09-18
• US4987129A
  申请人：——

  公开号：US4987129A

  公开（公告）日：1991-01-22