5'-O-dimethylaminothiocarbamoyl-N⁶-(endo-norborn-2-yl)adenosine | 1020259-90-8

• 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: 5'-O-dimethylaminothiocarbamoyl-N⁶-(endo-norborn-2-yl)adenosine
• CAS: 1020259-90-8
• 化学式: C₂₀H₂₈N₆O₄S
• 分子量: 448.546
• InChiKey: OJJWMJYTNSWVEN-ZXRVYSIVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.91
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  117.79
• 氢给体数：
  3.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  5'-O-dimethylaminothiocarbamoyl-2',3'-O-isopropylidene-N⁶-(endo-norborn-2-yl)adenosine 在 溶剂黄146 作用下， 反应 17.0h， 以79%的产率得到5'-O-dimethylaminothiocarbamoyl-N⁶-(endo-norborn-2-yl)adenosine
  参考文献：
  名称：

  N6-substituted C5′-modified adenosines as A1 adenosine receptor agonists

  摘要：

  Adenosines bearing 5'-modification in conjunction with an N-6-substituent have previously been shown to act as partial agonists at the A(1) adenosine receptor. Our current work investigates the effect of modifying the 5'-position in conjunction with efficacious bicyclic and tricyclic N-6-substituents. Several highly potent agonists for the A(1) adenosine receptor were identified; however, all of these compounds behaved as full agonists. In keeping with previous reports, 5'-halogen and 5'-sulfide derivatives of N-6-(endo-norborn-2-yl) adenosine were, in general, low nanomolar agonists of the A(1) adenosine receptor. The known partial agonist, N-6-cyclopentyl-5'-deoxy-5'-ethylthioadenosine (2), also behaved as a full agonist in our assay. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.11.010