4-[4-[(4-Tert-butylphenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine | 851316-29-5

• 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: 4-[4-[(4-Tert-butylphenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)pteridin-2-amine
• CAS: 851316-29-5
• 化学式: C₂₉H₃₅N₇O₂
• 分子量: 513.643
• InChiKey: KQRVHJWGJAPFNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-amino-6-(3,4-dimethoxyphenyl)pterine 、 1-(4-叔丁基苄基)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 4-[4-[(4-Tert-butylphenyl)methyl]piperazin-1-yl]-6-(3,4-dimethoxyphenyl)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.