3-N-[9-[2-(4-aminophenyl)ethyl]-2-fluoropurin-6-yl]benzene-1,3-diamine | 1118752-80-9

• 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: 3-N-[9-[2-(4-aminophenyl)ethyl]-2-fluoropurin-6-yl]benzene-1,3-diamine
• CAS: 1118752-80-9
• 化学式: C₁₉H₁₈FN₇
• 分子量: 363.397
• InChiKey: FSKGWVXVMAJROO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-N-[9-[2-(4-aminophenyl)ethyl]-2-fluoropurin-6-yl]benzene-1,3-diamine 在 氨 、 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 N6-(3-aminophenyl)-9-[2-(4-aminophenyl)ethyl]-9H-purine-2,6-diamine
  参考文献：
  名称：

  2,6,9-Trisubstituted purine derivatives as protein A mimetics for the treatment of autoimmune diseases

  摘要：

  A series of 9-substituted and 2,9-disubstituted 6-(3-aminophenylamino) purines were synthesized and evaluated for their ability to mimic protein A binding to human IgG antibody. The structure-activity relationship (SAR) demonstrates that the 6-(3-aminoanilinyl) purine component was essential for activity. Purine 14 demonstrated significant activity, compared to protein A. These compounds may prove useful for the treatment of autoimmune diseases. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.116
• 作为产物：
  描述：

  4-(2-(6-chloro-2-fluoro-9H-purin-9-yl)ethyl)aniline 、 间苯二胺 在 N,N-二异丙基乙胺 作用下， 以 正丁醇 为溶剂， 生成 3-N-[9-[2-(4-aminophenyl)ethyl]-2-fluoropurin-6-yl]benzene-1,3-diamine
  参考文献：
  名称：

  2,6,9-Trisubstituted purine derivatives as protein A mimetics for the treatment of autoimmune diseases

  摘要：

  A series of 9-substituted and 2,9-disubstituted 6-(3-aminophenylamino) purines were synthesized and evaluated for their ability to mimic protein A binding to human IgG antibody. The structure-activity relationship (SAR) demonstrates that the 6-(3-aminoanilinyl) purine component was essential for activity. Purine 14 demonstrated significant activity, compared to protein A. These compounds may prove useful for the treatment of autoimmune diseases. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.116

文献信息

• 2,6,9-Trisubstituted purine derivatives as protein A mimetics for the treatment of autoimmune diseases
  作者：Boulos Zacharie、Daniel Fortin、Nicole Wilb、Jean-François Bienvenu、Michel Asselin、Brigitte Grouix、Christopher Penney

  DOI：10.1016/j.bmcl.2008.10.116

  日期：2009.1

  A series of 9-substituted and 2,9-disubstituted 6-(3-aminophenylamino) purines were synthesized and evaluated for their ability to mimic protein A binding to human IgG antibody. The structure-activity relationship (SAR) demonstrates that the 6-(3-aminoanilinyl) purine component was essential for activity. Purine 14 demonstrated significant activity, compared to protein A. These compounds may prove useful for the treatment of autoimmune diseases. (C) 2008 Elsevier Ltd. All rights reserved.