9-[2-(6-氨基嘌呤-9-基)乙基]嘌呤-6-胺 | 22917-80-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 9-[2-(6-氨基嘌呤-9-基)乙基]嘌呤-6-胺
• 英文名称: 9,9'-ethylenediadenine
• 英文别名: 9H,9'H-9,9'-ethane-1,2-diyl-bis-purin-6-ylamine；1.2-Bis-<6-amino-9H-purinyl-(9)>-aethan；1,2-Bis--aethan；1.2-Bis--aethan；1,2-Bis(9-adenyl)-ethan；9,9'-Ethylen-bis-adenin；9,9'-Ethane-1,2-diylbis(9h-purin-6-amine)；9-[2-(6-aminopurin-9-yl)ethyl]purin-6-amine
• CAS: 22917-80-2
• 化学式: C₁₂H₁₂N₁₀
• 分子量: 296.294
• InChiKey: JQFWMNQRWVBYAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,2-二溴乙烷 、 腺嘌呤 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 9-[2-(6-氨基嘌呤-9-基)乙基]嘌呤-6-胺
  参考文献：
  名称：

  NMR study of 9,9′-(alkane-α,ω-diyl)diadenine

  摘要：

  The relationship between NMR chemical shifts of adenine ring protons of low concentrations of 9,9'-(alkane-alpha,omega-diyl)diadenine and the length of the polymethylene chains has been investigated in buffer solutions at pD 1.0, 7.0 and 13.0 and in organic solvents such as CD3OD, (CF3)(2)CDOD, [H-2(6)]dimethyl sulfoxide and CF3COOD. The chemical shifts were compared with those of 9-(omega-bromoalkyl)adenine.

  DOI：

  10.1039/p29960002695

文献信息

• JPS5754189A
  申请人：——

  公开号：JPS5754189A

  公开（公告）日：1982-03-31
• NMR study of 9,9′-(alkane-α,ω-diyl)diadenine
  作者：Toshio Itahara

  DOI：10.1039/p29960002695

  日期：——

  The relationship between NMR chemical shifts of adenine ring protons of low concentrations of 9,9'-(alkane-alpha,omega-diyl)diadenine and the length of the polymethylene chains has been investigated in buffer solutions at pD 1.0, 7.0 and 13.0 and in organic solvents such as CD3OD, (CF3)(2)CDOD, [H-2(6)]dimethyl sulfoxide and CF3COOD. The chemical shifts were compared with those of 9-(omega-bromoalkyl)adenine.