6-(3,4-Dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine | 851316-26-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6-(3,4-Dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine
• CAS: 851316-26-2
• 化学式: C₂₅H₂₆FN₇O₂
• 分子量: 475.526
• InChiKey: LKFOASGDOSYBKN-UHFFFAOYSA-N

物化性质

• 沸点：
  673.0±65.0 °C(Predicted)
• 密度：
  1.328±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-amino-6-(3,4-dimethoxyphenyl)pterine 、 1-(2-氟苄基)哌嗪 在 ammonium sulfate 、 对甲苯磺酸 、 六甲基二硅氮烷 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成 6-(3,4-Dimethoxyphenyl)-4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pteridin-2-amine
  参考文献：
  名称：

  Synthesis and in vitro evaluation of 2-amino-4-N-piperazinyl-6-(3,4-dimethoxyphenyl)-pteridines as dual immunosuppressive and anti-inflammatory agents

  摘要：

  Screening of a pteridine-based compound library led to the identification of compounds exhibiting immunosuppressive as well as anti-inflammatory activity. Optimization afforded a series of 2-amino-4-N-piperazinyl-6-(3,4-dimethoxyphenyl)pteridine analogues. The most potent congeners in this series displayed low nM IC50 values in the Mixed Lymphocyte Reaction (MLR) assay. In addition, these compounds also have potent anti-inflammatory activity as measured in the Tumor Necrosis Factor (TNF) assay. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.053

文献信息

• Synthesis and in vitro evaluation of 2-amino-4-N-piperazinyl-6-(3,4-dimethoxyphenyl)-pteridines as dual immunosuppressive and anti-inflammatory agents
  作者：Steven De Jonghe、Arnaud Marchand、Ling-Jie Gao、Agnes Calleja、Eva Cuveliers、Ilse Sienaert、Jean Herman、Gavin Clydesdale、Hassane Sefrioui、Yuan Lin、Wolfgang Pfleiderer、Mark Waer、Piet Herdewijn

  DOI：10.1016/j.bmcl.2010.11.053

  日期：2011.1

  Screening of a pteridine-based compound library led to the identification of compounds exhibiting immunosuppressive as well as anti-inflammatory activity. Optimization afforded a series of 2-amino-4-N-piperazinyl-6-(3,4-dimethoxyphenyl)pteridine analogues. The most potent congeners in this series displayed low nM IC50 values in the Mixed Lymphocyte Reaction (MLR) assay. In addition, these compounds also have potent anti-inflammatory activity as measured in the Tumor Necrosis Factor (TNF) assay. (C) 2010 Elsevier Ltd. All rights reserved.