N-methyl 2-{3-[N-methylisonicotinamido]propyn-1-yl}adenosine-5'-uronamide | 1556817-63-0

• 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-methyl 2-{3-[N-methylisonicotinamido]propyn-1-yl}adenosine-5'-uronamide
• 英文别名: N-[3-[6-amino-9-[(2R,3R,4S,5S)-3,4-dihydroxy-5-(methylcarbamoyl)oxolan-2-yl]purin-2-yl]prop-2-ynyl]-N-methylpyridine-4-carboxamide
• CAS: 1556817-63-0
• 化学式: C₂₁H₂₂N₈O₅
• 分子量: 466.456
• InChiKey: UTTMKYDHNHDWMO-KGWSRGFLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  10

文献信息

• N-ALKYL 2-(DISUBSTITUTED)ALKYNYLADENOSINE-5-URONAMIDES AS A2A AGONISTS
  申请人：Lewis and Clark Pharmaceuticals, Inc.

  公开号：US20170283452A9

  公开（公告）日：2017-10-05

  The present invention provides N-alkyl 2-(disubstituted)alkynyladenosine-5′-uronamides and derivatives thereof and pharmaceutical compositions containing the same that are selective agonists of A 2A adenosine receptors (ARs). These compounds and compositions are useful as pharmaceutical agents.
• US9822141B2
  申请人：——

  公开号：US9822141B2

  公开（公告）日：2017-11-21