1-(2-(3-methoxystyryl)-5-nitro-1H-imidazol-1-yl)propan-2-ol | 1448528-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-(3-methoxystyryl)-5-nitro-1H-imidazol-1-yl)propan-2-ol
• 英文别名: 1-[2-[2-(3-methoxyphenyl)ethenyl]-5-nitroimidazol-1-yl]propan-2-ol
• CAS: 1448528-46-8
• 化学式: C₁₅H₁₇N₃O₄
• 分子量: 303.318
• InChiKey: OFZYRAMRJYPBQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.35
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  90.42
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  3-甲氧基苯甲醛 、 塞克硝唑 在 sodium methylate 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 以66.1%的产率得到1-(2-(3-methoxystyryl)-5-nitro-1H-imidazol-1-yl)propan-2-ol
  参考文献：
  名称：

  Potentiating 1-(2-hydroxypropyl)-2-styryl-5-nitroimidazole derivatives against antibacterial agents: Design, synthesis and biology analysis

  摘要：

  A series of novel 1-(2-hydroxypropyl)-2-styryl-5-nitroimidazole derivatives had been designed, synthesized, isolated and evaluated as potentiators of antibacterial agents. All these synthesized compounds were determined by elemental analysis, H-1 NMR, and MS. Their biological activities were also evaluated against two Gram-negative bacterial strains: Escherichia coli and Pseudomonas aeruginosa and two Gram-positive bacterial strains: Bacillus thuringiensis and Bacillus subtilis by MTT method as potential FabH inhibitory. The results showed that compound 30 exhibited the most potent E. coli FabH inhibitory activity with IC50 of 4.6 mu M. Molecular modeling simulation studies were performed in order to predict the biological activities of the proposed compounds. All compounds have been tested for toxicity by MTT assay on human macrophage. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.05.004