(2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide
• 英文别名: (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-[6-(methylamino)purin-9-yl]oxolane-2-carboxamide
• 化学式: C₁₂H₁₇N₇O₃
• 分子量: 307.312
• InChiKey: YRQPFXUCXVGNQQ-HIFLKKFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  140
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2S,3S,4R,5R) 3-azido-4-hydroxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-2-carboxylic acid methylamide 在 ammonium hydroxide 、 水 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 (2S,3S,4R,5R)-3-amino-4-hydroxy-N-methyl-5-(6-(methylamino)-9H-purin-9-yl)-tetrahydrofuran-2-carboxamide
  参考文献：
  名称：

  3‘-Aminoadenosine-5‘-uronamides:  Discovery of the First Highly Selective Agonist at the Human Adenosine A₃ Receptor

  摘要：

  Selective adenosine A(3) agonists have potential utility for the prevention of perioperative myocardial ischemic injury. Herein, we report on the discovery and synthesis of compound 7. This amino nucleoside agonist possesses unprecedented levels of selectivity for the human adenosine A(3) receptor.

  DOI：

  10.1021/jm0255724

文献信息

• Compounds for the treatment of ischemia
  申请人：——

  公开号：US20030055021A1

  公开（公告）日：2003-03-20

  A 3 agonists having Formula I are described herein as well as methods of using such A 3 agonists and pharmaceutical compositions containing such A 3 agonists. 1 The A 3 agonists are useful for the reduction of tissue damage resulting from tissue ischemia or hypoxia.

  本文描述了具有I式的A3受体激动剂，以及使用这种A3受体激动剂的方法和含有这种A3受体激动剂的药物组合物。这些A3受体激动剂对于减少由组织缺血或低氧引起的组织损伤是有用的。
• Purine derivatives for the treatment of ischemia
  申请人：Pfizer Products Inc.

  公开号：EP1241176A1

  公开（公告）日：2002-09-18

  A3 agonists having Formula I are described herein as well as methods of using such A3 agonists and pharmaceutical compositions containing such A3 agonists. The A3 agonists are useful for the reduction of tissue damage resulting from tissue ischemia or hypoxia.

  本文描述了具有式 I 的 A3 激动剂以及使用这种 A3 激动剂的方法和含有这种 A3 激动剂的药物组合物。 A3 激动剂可用于减少组织缺血或缺氧造成的组织损伤。
• 3‘-Aminoadenosine-5‘-uronamides:  Discovery of the First Highly Selective Agonist at the Human Adenosine A₃ Receptor
  作者：Michael P. DeNinno、Hiroko Masamune、Lois K. Chenard、Kenneth J. DiRico、Cynthia Eller、John B. Etienne、Jeanene E. Tickner、Scott P. Kennedy、Delvin R. Knight、Jimmy Kong、Joseph J. Oleynek、W. Ross Tracey、Roger J. Hill

  DOI：10.1021/jm0255724

  日期：2003.1.1

  Selective adenosine A(3) agonists have potential utility for the prevention of perioperative myocardial ischemic injury. Herein, we report on the discovery and synthesis of compound 7. This amino nucleoside agonist possesses unprecedented levels of selectivity for the human adenosine A(3) receptor.