benzhydryl 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate 1,1-dioxide | 115569-69-2

• 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: benzhydryl 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate 1,1-dioxide
• 英文别名: benzhydryl (2S,3R,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate；benzhydryl (2S,3R,5R)-3-methyl-4,4,7-trioxo-3-(triazol-1-ylmethyl)-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• CAS: 115569-69-2
• 化学式: C₂₃H₂₂N₄O₅S
• 分子量: 466.517
• InChiKey: PHGXFQIAGFMIHJ-UNWVZKJWSA-N

物化性质

• 沸点：
  717.5±70.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  benzhydryl 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate 1,1-dioxide 在 palladium on activated charcoal 氢气 、 碳酸氢钠 作用下， 以 水 、 乙酸乙酯 为溶剂， 以60%的产率得到sodium 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate-1,1-dioxide
  参考文献：
  名称：

  Synthesis and biological evaluation of sodium 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate-1,1-dioxide

  摘要：

  The synthesis and beta-lactamase inhibitory activity of sodium 2 alpha-(1,2,3-triazol-1-yl)methyl-2 beta-methyl-6,6-dihydropenam-3 alpha-carboxylate- 1,1-dioxide 2 (R = Na) is described. Its activity was compared with tazobactam 1 (R = Na). Compound 2 showed excellent synergism in combination with piperacillin (PIPC) and the results were either comparable or superior to tazobactam.

  DOI：

  10.1016/0223-5234(94)90139-2
• 作为产物：
  描述：

  他唑巴坦杂质 在 potassium permanganate 、 sodium azide 、 溶剂黄146 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 31.0h， 生成 benzhydryl 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate 1,1-dioxide
  参考文献：
  名称：

  Synthesis and biological evaluation of sodium 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate-1,1-dioxide

  摘要：

  The synthesis and beta-lactamase inhibitory activity of sodium 2 alpha-(1,2,3-triazol-1-yl)methyl-2 beta-methyl-6,6-dihydropenam-3 alpha-carboxylate- 1,1-dioxide 2 (R = Na) is described. Its activity was compared with tazobactam 1 (R = Na). Compound 2 showed excellent synergism in combination with piperacillin (PIPC) and the results were either comparable or superior to tazobactam.

  DOI：

  10.1016/0223-5234(94)90139-2

文献信息

• OGAVA, KADZUO;ISIDA, NAOBUMI
  作者：OGAVA, KADZUO、ISIDA, NAOBUMI

  DOI：——

  日期：——
• TORII, SIGERU;TANAKA, HIDEO;TANIGUCHI, MASATOSHI;KAMEYAMA, YUTAKA;SASAOKA+, J. ORG. CHEM., 56,(1991) N1, C. 3633-3637
  作者：TORII, SIGERU、TANAKA, HIDEO、TANIGUCHI, MASATOSHI、KAMEYAMA, YUTAKA、SASAOKA+

  DOI：——

  日期：——
• Synthesis and biological evaluation of sodium 2α-(1,2,3-triazol-1-yl)methyl-2β-methyl-6,6-dihydropenam-3α-carboxylate-1,1-dioxide
  作者：SN Maiti、P Spevak、AVN Reddy、RG Micetich、N Ishida、Y Miyake、K Ogawa

  DOI：10.1016/0223-5234(94)90139-2

  日期：1994.1

  The synthesis and beta-lactamase inhibitory activity of sodium 2 alpha-(1,2,3-triazol-1-yl)methyl-2 beta-methyl-6,6-dihydropenam-3 alpha-carboxylate- 1,1-dioxide 2 (R = Na) is described. Its activity was compared with tazobactam 1 (R = Na). Compound 2 showed excellent synergism in combination with piperacillin (PIPC) and the results were either comparable or superior to tazobactam.