2,4-Dibromo-N-(1H-tetrazol-5-ylmethyl)-butyramide | 1027068-63-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,4-Dibromo-N-(1H-tetrazol-5-ylmethyl)-butyramide
• 英文别名: 2,4-dibromo-N-(2H-tetrazol-5-ylmethyl)butanamide
• CAS: 1027068-63-8
• 化学式: C₆H₉Br₂N₅O
• 分子量: 326.978
• InChiKey: VZPWAXDUBLGSAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-Dibromo-N-(1H-tetrazol-5-ylmethyl)-butyramide 在 sodium hydroxide 、 Dowex 2x 10 、 三苯基膦 作用下， 以 二氯甲烷 为溶剂， 生成 (2R,6R,7R)-7-tert-Butoxycarbonylamino-8-oxo-3-[2-oxo-1-(1H-tetrazol-5-ylmethyl)-pyrrolidin-(3Z)-ylidenemethyl]-5-thia-1-aza-bicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationship of (Lactamylvinyl)cephalosporins Exhibiting Activity against Staphylococci, Pneumococci, and Enterococci

  摘要：

  The synthesis and structure-activity relationships of a new class of vinylcephalosporins substituted with a lactamyl residue (1) are described. These compounds show excellent activity against enterococci and retain the broad spectrum activity of third-generation cephalosporins such as ceftriaxone.

  DOI：

  10.1021/jm950886v
• 作为产物：
  描述：

  2,4-二溴丁酰氯 、 5-氨乙基四氮唑 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 2,4-Dibromo-N-(1H-tetrazol-5-ylmethyl)-butyramide
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationship of (Lactamylvinyl)cephalosporins Exhibiting Activity against Staphylococci, Pneumococci, and Enterococci

  摘要：

  The synthesis and structure-activity relationships of a new class of vinylcephalosporins substituted with a lactamyl residue (1) are described. These compounds show excellent activity against enterococci and retain the broad spectrum activity of third-generation cephalosporins such as ceftriaxone.

  DOI：

  10.1021/jm950886v

文献信息

• Synthesis and Structure−Activity Relationship of (Lactamylvinyl)cephalosporins Exhibiting Activity against Staphylococci, Pneumococci, and Enterococci
  作者：Ingrid Heinze-Krauss、Peter Angehrn、Philippe Guerry、Paul Hebeisen、Christian Hubschwerlen、Ivan Kompis、Malcolm G. P. Page、Hans G. F. Richter、Valérie Runtz、Henri Stalder、Urs Weiss、Chung-Chen Wei

  DOI：10.1021/jm950886v

  日期：1996.1.1

  The synthesis and structure-activity relationships of a new class of vinylcephalosporins substituted with a lactamyl residue (1) are described. These compounds show excellent activity against enterococci and retain the broad spectrum activity of third-generation cephalosporins such as ceftriaxone.