N-(3-Hydroxybenzyl)adenosine

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: N-(3-Hydroxybenzyl)adenosine
• 英文别名: 2-(hydroxymethyl)-5-[6-[(3-hydroxyphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
• 化学式: C₁₇H₁₉N₅O₅
• 分子量: 373.4
• InChiKey: CMTVBCOBYCGDJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9

文献信息

• ADENOSINE ANALOGUES FOR THE TREATMENT OF PAIN
  申请人：Academia Sinica

  公开号：EP2849566B1

  公开（公告）日：2018-04-04
• Methods and Compositions for Treating Pain
  申请人：Academia Sinica

  公开号：US20170224716A1

  公开（公告）日：2017-08-10

  The invention provides a new use of adenosine analogs for the treatment of pain through activation of neurokinin 1 (NK1) receptor signaling pathway, thereby inducing the activation of activation of M-type potassium channel to induce outward currents. A method and pharmaceutical composition for treating pain comprising an adenonsine analog that activates NK1 receptor signaling, thereby inducing outward current are also provided.