6-(3,4-dimethoxyphenyl)-4-N-(2-phenylethyl)pteridine-2,4-diamine | 847756-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 6-(3,4-dimethoxyphenyl)-4-N-(2-phenylethyl)pteridine-2,4-diamine
• CAS: 847756-79-0
• 化学式: C₂₂H₂₂N₆O₂
• 分子量: 402.456
• InChiKey: RDGGIZXKJIAXRC-UHFFFAOYSA-N

物化性质

• 沸点：
  663.3±65.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 生成 6-(3,4-dimethoxyphenyl)-4-N-(2-phenylethyl)pteridine-2,4-diamine
  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

• IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES
  申请人：4 AZA Bioscience nv

  公开号：EP1658081A2

  公开（公告）日：2006-05-24
• [EN] IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES<br/>[FR] EFFETS IMMUNOSUPPRESSIFS DE DERIVES DE PTERIDINE
  申请人：4 AZA BIOSCIENCE NV

  公开号：WO2005021003A2

  公开（公告）日：2005-03-10

  This invention relates to a group of trisubstituted and tetrasubstituted pteridine derivatives, their pharmaceutically acceptable salts, N-oxides, solvates, dihydro- and tetrahydro- derivatives and enantiomers, possessing unexpectedly desirable pharmaceutical properties, in particular which are highly active immunosuppressive agents, and as such are useful in the treatment in transplant rejection and/or in the treatment of certain inflammatory diseases. These compounds are also useful in preventing or treating cardiovascular disorders, allergic conditions, disorders of the central nervous system and cell proliferative disorders.