diphenylmethyl 7-amino-3-[(2,5-bis(hydroxymethyl)-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: diphenylmethyl 7-amino-3-[(2,5-bis(hydroxymethyl)-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylate
• 英文别名: benzhydryl (6S)-7-amino-3-[[2,5-bis(hydroxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C₂₈H₂₆N₆O₅S₂
• 分子量: 590.684
• InChiKey: BIUFPJXEROJTHS-XGCAABAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  207
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  7-amino-3-[(2,5-bis(hydroxymethyl)-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylic acid 、 二苯甲酮腙 、 氧化汞(II)红 以 甲醇 、 正己烷 、 二氯甲烷 为溶剂， 生成 diphenylmethyl 7-amino-3-[(2,5-bis(hydroxymethyl)-s-triazolo[1,5-a]pyrimidin-7-yl)thiomethyl]-3-cephem-4-carboxylate
  参考文献：
  名称：

  "Triazolo-pyrimidine intermediates"

  摘要：

  公开了一种β-内酰胺化合物，其由以下通式(I)表示： ##STR1## 其中R1表示酰基；M表示氢原子，或可在人体内易水解的可消除保护基团；B表示由通式(b)表示的基团： ##STR2## 其中至少一个R2、R3和R9表示由以下通式表示的基团：-A-OR4，其中R4表示氢或低级烷基；A表示具有1至6个碳原子的直链或支链亚烷基；剩余的基团或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；环烷基；或可被易在人体内水解的可消除保护基团取代的羧基，当R9为-A-OR4时，R2和R3可以相互结合形成具有3至4个碳原子的亚烷基；Z表示氮原子或由以下通式表示的基团：C-R10，其中R10表示氢原子、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，以及制备该化合物的方法、用于合成该化合物的中间体和含有该化合物的用于细菌感染疾病治疗的药物组合物。

  公开号：

  US04956462A1

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
• "Triazolo-pyrimidine intermediates"
  申请人：Sankei Pharmaceutical Co., Ltd.

  公开号：US04956462A1

  公开（公告）日：1990-09-11

  There are disclosed a .beta.-lactam compound represented by the formula (I): ##STR1## wherein R.sub.1 represents an acyl group; M represents a hydrogen atom, a protective group of an eliminatable group which is easily hydrolyzable in a human body; B represents a group represented by the formula (b): ##STR2## where at least one of R.sub.2, R.sub.3 and R.sub.9 represent a group represented by the formula: -A-OR.sub.4 where R.sub.4 represents a hydrogen or a lower alkyl group; and A represents a straight or branched 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 of an eliminatable group which is easily hydrolyzable in a human body, and also when R.sub.9 is -A-OR.sub.4, R.sub.2 and R.sub.3 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-R.sub.10 where R.sub.10 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β-内酰胺化合物，其由以下通式(I)表示： ##STR1## 其中R1表示酰基；M表示氢原子，或可在人体内易水解的可消除保护基团；B表示由通式(b)表示的基团： ##STR2## 其中至少一个R2、R3和R9表示由以下通式表示的基团：-A-OR4，其中R4表示氢或低级烷基；A表示具有1至6个碳原子的直链或支链亚烷基；剩余的基团或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；环烷基；或可被易在人体内水解的可消除保护基团取代的羧基，当R9为-A-OR4时，R2和R3可以相互结合形成具有3至4个碳原子的亚烷基；Z表示氮原子或由以下通式表示的基团：C-R10，其中R10表示氢原子、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，以及制备该化合物的方法、用于合成该化合物的中间体和含有该化合物的用于细菌感染疾病治疗的药物组合物。