2-Amino-7-{2-[2-(4-amino-2-oxo-2H-pyrimidin-1-yl)-ethylamino]-ethyl}-1,7-dihydro-purin-6-one | 134785-31-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 2-Amino-7-{2-[2-(4-amino-2-oxo-2H-pyrimidin-1-yl)-ethylamino]-ethyl}-1,7-dihydro-purin-6-one
• 英文别名: 1-(2-((2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone；2-amino-7-[2-[2-(4-amino-2-oxopyrimidin-1-yl)ethylamino]ethyl]-1H-purin-6-one
• CAS: 134785-31-2
• 化学式: C₁₃H₁₇N₉O₂
• 分子量: 331.337
• InChiKey: YMDFTVXXUSNVAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  鸟苷 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 sodium methylate 、 potassium carbonate 、 溶剂黄146 、 sodium iodide 作用下， 以 甲醇 、 丙酮 、 乙腈 为溶剂， 反应 46.0h， 生成 2-Amino-7-{2-[2-(4-amino-2-oxo-2H-pyrimidin-1-yl)-ethylamino]-ethyl}-1,7-dihydro-purin-6-one
  参考文献：
  名称：

  Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives

  摘要：

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.

  DOI：

  10.1021/jo00029a008

文献信息

• Synthesis and binding properties of monomeric and dimeric guanine and cytosine amine derivatives
  作者：Jonathan L. Sessler、Darren Magda、Hiroyuki Furuta

  DOI：10.1021/jo00029a008

  日期：1992.1

  The syntheses of the N-protected forms of the cytosine homodimer 1, the guanine cytosine heterodimer 2, and the guanine homodimer 3 are described. Derivatization of these dimers, as well as the protected monomers corresponding to 4 and 5, with omega-methoxypoly(ethylene glycol)-alpha-carboxylic acid 26 and subsequent deprotection formed the amides 29, 31, 33, 35, and 37. The binding properties of these solubilized compounds in DMSO-d(g) were examined using H-1 NMR.