2-(2-Phenylmethoxy-4-propylphenoxy)pyrimidine | 1403681-89-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(2-Phenylmethoxy-4-propylphenoxy)pyrimidine
• 英文别名: 2-(2-phenylmethoxy-4-propylphenoxy)pyrimidine
• CAS: 1403681-89-9
• 化学式: C₂₀H₂₀N₂O₂
• 分子量: 320.391
• InChiKey: GUZGMZRFJIIIGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-Phenylmethoxy-4-propylphenoxy)pyrimidine 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 为溶剂， 以100%的产率得到5-propyl-2-(pyrimidin-2-yloxy)-phenol
  参考文献：
  名称：

  From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria

  摘要：

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.

  DOI：

  10.1021/jm301113w
• 作为产物：
  描述：

  二氢丁香酚 在 三溴化硼 、 potassium carbonate 、 sodium iodide 、 potassium hydroxide 作用下， 以 乙醇 、 二氯甲烷 、 水 、 丙酮 、 乙腈 为溶剂， 生成 2-(2-Phenylmethoxy-4-propylphenoxy)pyrimidine
  参考文献：
  名称：

  From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria

  摘要：

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.

  DOI：

  10.1021/jm301113w

文献信息

• From Triclosan toward the Clinic: Discovery of Nonbiocidal, Potent FabI Inhibitors for the Treatment of Resistant Bacteria
  作者：Vincent Gerusz、Alexis Denis、Fabien Faivre、Yannick Bonvin、Mayalen Oxoby、Sophia Briet、Géraldine LeFralliec、Chrystelle Oliveira、Nicolas Desroy、Cédric Raymond、Laëtitia Peltier、François Moreau、Sonia Escaich、Vanida Vongsouthi、Stéphanie Floquet、Elodie Drocourt、Armelle Walton、Laure Prouvensier、Marc Saccomani、Lionel Durant、Jean-Marie Genevard、Vanessa Sam-Sambo、Coralie Soulama-Mouze

  DOI：10.1021/jm301113w

  日期：2012.11.26

  In this paper, we present some elements of our optimization program to decouple triclosan's specific FabI effect from. its nonspecific cytotoxic component. The implementation of this strategy delivered highly specific, potent, and nonbiocidal new FabI inhibitors. We also disclose some preclinical data of one of their representatives, 83, a novel antibacterial compound active against resistant staphylococci and some clinically, relevant Gram negative bacteria that is currently undergoing clinical trails.