(2R,3R,4S,5R)-2-[6-(4-ethylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | 107799-07-5

• 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: (2R,3R,4S,5R)-2-[6-(4-ethylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
• CAS: 107799-07-5
• 化学式: C₁₈H₂₁N₅O₄
• 分子量: 371.396
• InChiKey: FXHOLBKPEQYDBA-SCFUHWHPSA-N

物化性质

• 沸点：
  689.4±65.0 °C(Predicted)
• 密度：
  1.57±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  126
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-氯嘌呤核苷 、 4-乙基苯胺 在 calcium carbonate 作用下， 以 乙醇 为溶剂， 生成 (2R,3R,4S,5R)-2-[6-(4-ethylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  参考文献：
  名称：

  N6-Phenyladenosines: pronounced effect of phenyl substituents on affinity for A2 adenosine receptors

  摘要：

  A number of N6-phenyladenosines with various substitutions on the phenyl ring have been synthesized and tested for their affinities toward brain A1 and A2 adenosine receptors. Compounds with meta substituents, such as (m-hydroxy- and m-iodophenyl)adenosine, were found to have high A1 selectivity. Meta substitution caused a selective decrease in the affinity of these compounds for A2 receptors. The results suggest that, in contrast to what is commonly held, certain N6-substituents have pronounced effects on affinity for brain A2 adenosine receptors. Thus, brain A2 receptors may have a well-defined region that recognizes N6-substitutions.

  DOI：

  10.1021/jm00388a039

文献信息

• N6-Phenyladenosines: pronounced effect of phenyl substituents on affinity for A2 adenosine receptors
  作者：Madan M. Kwatra、Edward Leung、M. Marlene Hosey、Richard D. Green

  DOI：10.1021/jm00388a039

  日期：1987.5

  A number of N6-phenyladenosines with various substitutions on the phenyl ring have been synthesized and tested for their affinities toward brain A1 and A2 adenosine receptors. Compounds with meta substituents, such as (m-hydroxy- and m-iodophenyl)adenosine, were found to have high A1 selectivity. Meta substitution caused a selective decrease in the affinity of these compounds for A2 receptors. The results suggest that, in contrast to what is commonly held, certain N6-substituents have pronounced effects on affinity for brain A2 adenosine receptors. Thus, brain A2 receptors may have a well-defined region that recognizes N6-substitutions.