9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine | 213018-04-3

• 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: 9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine
• CAS: 213018-04-3
• 化学式: C₂₄H₂₇N₅O
• 分子量: 401.511
• InChiKey: VMGLDCQGECBWCL-LAUBAEHRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine 在 palladium dihydroxide 作用下， 以 乙醇 、 环己烷 为溶剂， 生成 (2S,3R)-3-(6-aminopurin-9-yl)-4-(3-ethylphenyl)butan-2-ol
  参考文献：
  名称：

  Adenosine deaminase inhibitors. Synthesis and biological evaluation of aralkyladenines (ARADS)

  摘要：

  Several 9-aralkyladenines have been prepared and their ADA inhibitory activity was determined. A minimum of two carbon atoms separating the aromatic ring from the adenine-bearing carbon (C3') was found essential for potent activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00291-1
• 作为产物：
  描述：

  (2S,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-ol 在 偶氮二甲酸二异丙酯 、 氨 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 生成 9-[(2R,3S)-1-(3-ethylphenyl)-3-phenylmethoxybutan-2-yl]purin-6-amine
  参考文献：
  名称：

  Adenosine deaminase inhibitors. Synthesis and biological evaluation of aralkyladenines (ARADS)

  摘要：

  Several 9-aralkyladenines have been prepared and their ADA inhibitory activity was determined. A minimum of two carbon atoms separating the aromatic ring from the adenine-bearing carbon (C3') was found essential for potent activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00291-1

文献信息

• Adenosine deaminase inhibitors. Synthesis and biological evaluation of aralkyladenines (ARADS)
  作者：Mark A. Curtis、Vaibhav Varkhedkar、Palle V.P. Pragnacharyulu、Elie Abushanab

  DOI：10.1016/s0960-894x(98)00291-1

  日期：1998.7

  Several 9-aralkyladenines have been prepared and their ADA inhibitory activity was determined. A minimum of two carbon atoms separating the aromatic ring from the adenine-bearing carbon (C3') was found essential for potent activity. (C) 1998 Elsevier Science Ltd. All rights reserved.