2-(benzyloxy)-N-(2,6-dichloro-5-methoxypyridin-3-yl)ethanethioamide | 1227629-54-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(benzyloxy)-N-(2,6-dichloro-5-methoxypyridin-3-yl)ethanethioamide
• CAS: 1227629-54-0
• 化学式: C₁₅H₁₄Cl₂N₂O₂S
• 分子量: 357.26
• InChiKey: LPEKXQUMMGAUMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.35
• 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：
  0.2
• 拓扑面积：
  43.38
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-(benzyloxy)-N-(2,6-dichloro-5-methoxypyridin-3-yl)ethanethioamide 在 sodium hydride 作用下， 以 N-甲基吡咯烷酮 、 mineral oil 为溶剂， 反应 0.5h， 以79%的产率得到2-[(benzyloxy)methyl]-5-chloro-6-methoxypyrido[3,2-d][1,3]thiazole
  参考文献：
  名称：

  Creating an Antibacterial with in Vivo Efficacy: Synthesis and Characterization of Potent Inhibitors of the Bacterial Cell Division Protein FtsZ with Improved Pharmaceutical Properties

  摘要：

  3-Methoxybenzamide (1) is a weak inhibitor of the essential bacterial cell division protein FtsZ. Alkyl derivatives of 1 are potent antistaphylococcal compounds with suboptimal drug-like properties. Exploration of the structure activity relationships of analogues of these inhibitors led to the identification of potent antistaphylococcal compounds with improved pharmaceutical properties.

  DOI：

  10.1021/jm9016366
• 作为产物：
  描述：

  2-(benzyloxy)-N-(2,6-dichloro-5-methoxypyridin-3-yl)acetamide 在 tetraphosphorus decasulfide 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以83%的产率得到2-(benzyloxy)-N-(2,6-dichloro-5-methoxypyridin-3-yl)ethanethioamide
  参考文献：
  名称：

  Creating an Antibacterial with in Vivo Efficacy: Synthesis and Characterization of Potent Inhibitors of the Bacterial Cell Division Protein FtsZ with Improved Pharmaceutical Properties

  摘要：

  3-Methoxybenzamide (1) is a weak inhibitor of the essential bacterial cell division protein FtsZ. Alkyl derivatives of 1 are potent antistaphylococcal compounds with suboptimal drug-like properties. Exploration of the structure activity relationships of analogues of these inhibitors led to the identification of potent antistaphylococcal compounds with improved pharmaceutical properties.

  DOI：

  10.1021/jm9016366