<4S,5R,6S(R)>-6-(1-hydroxyethyl)-3-(hydroxymethyl)-4-methyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylic acid potassium salt | 119067-28-6

• 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: <4S,5R,6S(R)>-6-(1-hydroxyethyl)-3-(hydroxymethyl)-4-methyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylic acid potassium salt
• 英文别名: potassium;(4S,5R,6S)-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 119067-28-6
• 化学式: C₁₁H₁₄NO₅*K
• 分子量: 279.334
• InChiKey: WGWSSVWCYUGZKK-QYUXJGFFSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.16
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4S,5R,6S(R))-3-(hydroxymethyl)-4-methyl-6-<1-<<(2-propenoxy)carbonyl>oxy>ethyl>-7-oxo-1-azabicyclo<3.2.0>hept-2-enecarboxylic acid 2-propenyl ester 在 四(三苯基膦)钯 、 2-乙基-己酸稀土盐 、 potassium 2-ethylhexanoate 、 三苯基膦 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 2.0h， 以76%的产率得到<4S,5R,6S(R)>-6-(1-hydroxyethyl)-3-(hydroxymethyl)-4-methyl-7-oxo-1-azabicyclo<3.2.0>hept-2-ene-2-carboxylic acid potassium salt
  参考文献：
  名称：

  Dual-action penems and carbapenems

  摘要：

  Two new series of dual-action antibacterial agents were synthesized in which penems and carbapenems were linked at the 2'-position to quinolones through either an ester or a carbamate moiety. Potent, broad-spectrum antibacterial activity was observed for both classes of compounds, indicative of a dual-mode of action.

  DOI：

  10.1021/jm00088a019

文献信息

• SCHMITT, SUSAN M.;SALZMANN, THOMAS N.;SHIH, DAVID H.;CHRISTENSEN, BURTON +, J. ANTIBIOTICS, 41,(1988) N 6, 780-787
  作者：SCHMITT, SUSAN M.、SALZMANN, THOMAS N.、SHIH, DAVID H.、CHRISTENSEN, BURTON +

  DOI：——

  日期：——
• Dual-action penems and carbapenems
  作者：Alfred J. Corraz、Scott L. Dax、Norma K. Dunlap、Nafsika H. Georgopapadakou、Dennis D. Keith、David L. Pruess、Pamela L. Rossman、Rudolf Then、Joel Unowsky、Chung Chen Wei

  DOI：10.1021/jm00088a019

  日期：1992.5

  Two new series of dual-action antibacterial agents were synthesized in which penems and carbapenems were linked at the 2'-position to quinolones through either an ester or a carbamate moiety. Potent, broad-spectrum antibacterial activity was observed for both classes of compounds, indicative of a dual-mode of action.