<4-<(2-aminothiazol-4-yl)-2Z-methoxyiminoacetylimino>-4H-1,2,4-triazolio-1>acetate de sodium | 143687-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: <4-<(2-aminothiazol-4-yl)-2Z-methoxyiminoacetylimino>-4H-1,2,4-triazolio-1>acetate de sodium
• 英文别名: sodium;2-[4-[(Z)-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-1-oxidoethylidene]amino]-1,2,4-triazol-4-ium-1-yl]acetate
• CAS: 143687-50-7
• 化学式: C₁₀H₁₀N₇O₄S*Na
• 分子量: 347.29
• InChiKey: AAWDTBDVVWMUQO-ZTXYIFKNSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -6.46
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  186
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 碳酸氢钠 作用下， 生成 <4-<(2-aminothiazol-4-yl)-2Z-methoxyiminoacetylimino>-4H-1,2,4-triazolio-1>acetate de sodium
  参考文献：
  名称：

  Synthèse, étude théorique et évaluation biologique de dérivés du 4-amino-4H-1,2,4-triazole analogues des antibiotiques β-lactamiques

  摘要：

  The synthesis of three classes of potential antibiotic compounds derived from 4-amino-4H- 1,2,4-triazole and related to beta-lactam antibiotics is described. Their originality belongs to the replacement of the beta-lactam carbonyl moiety by another electrophilic centre of the same sp2 geometry. As a result, their interaction with the bacterial target enzyme might lead to the formation of a covalent complex different from the classical acylenzyme. A theoretical study of their structural analogy and their reactivity compared to those of a model beta-lactam justifies their interest in the present context. However, the actual biological results indicate a lack of antibacterial activity.

  DOI：

  10.1016/0223-5234(92)90003-j