2-benzamido-7-(2-hydroxyethyl)purin-6-one | 125070-23-7

• 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-benzamido-7-(2-hydroxyethyl)purin-6-one
• 英文别名: N-(6-Hydroxy-7-(2-hydroxyethyl)-7H-purin-2-yl)benzamide；N-[7-(2-hydroxyethyl)-6-oxo-1H-purin-2-yl]benzamide
• CAS: 125070-23-7
• 化学式: C₁₄H₁₃N₅O₃
• 分子量: 299.289
• InChiKey: IPXXHMZAKYXEIO-UHFFFAOYSA-N

物化性质

• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-benzamido-7-(2-hydroxyethyl)purin-6-one 在 吡啶 、 potassium carbonate 、 sodium iodide 作用下， 以 丙酮 、 乙腈 为溶剂， 反应 72.0h， 生成 bis<2-<7-(2-benzamido-6-oxopurinyl)>ethyl>amine
  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
• 作为产物：
  描述：

  鸟苷 在 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 sodium methylate 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 反应 14.0h， 生成 2-benzamido-7-(2-hydroxyethyl)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

• SESSLER, JONATHAN L.;MAGDA, DARREN;HUGDAHL, JEFF, J. NUCL. PHENOM., 7,(1989) N, C. 19-26
  作者：SESSLER, JONATHAN L.、MAGDA, DARREN、HUGDAHL, JEFF

  DOI：——

  日期：——
• 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.