5,7-Diiod-8-acetoxy-chinaldin | 91493-23-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 5,7-Diiod-8-acetoxy-chinaldin
• 英文别名: (5,7-Diiodo-2-methylquinolin-8-yl) acetate
• CAS: 91493-23-1
• 化学式: C₁₂H₉I₂NO₂
• 分子量: 453.018
• InChiKey: UACRPOPSSHNDHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  邻甲氧基苯胺 在 4-二甲氨基吡啶 、 N-碘代丁二酰亚胺 、 硫酸 、 氢溴酸 、 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 45.0h， 生成 5,7-Diiod-8-acetoxy-chinaldin
  参考文献：
  名称：

  Discovery of quinoline small molecules with potent dispersal activity against methicillin-resistant Staphylococcus aureus and Staphylococcus epidermidis biofilms using a scaffold hopping strategy

  摘要：

  Staphylococcus aureus and Staphylococcus epidermidis are recognized as the most frequent cause of biofilm-associated nosocomial and indwelling medical device infections. Biofilm-associated infections are known to be highly resistant to our current arsenal of clinically used antibiotics and antibacterial agents. To exacerbate this problem, no therapeutic option exists that targets biofilm-dependent machinery critical to Staphylococcal biofilm formation and maintenance. Here, we describe the discovery of a series of quinoline small molecules that demonstrate potent biofilm dispersal activity against methicillin-resistant S. aureus and S. epidermidis using a scaffold hopping strategy. This interesting class of quinolines also has select synthetic analogues that demonstrate potent antibacterial activity and biofilm inhibition against S. aureus and S. epidermidis. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.09.009