8-Cyclopentyl-7-(4-methoxy-benzyl)-3-(3-methoxy-propyl)-3,7-dihydro-purine-2,6-dione | 344796-53-8

• 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: 8-Cyclopentyl-7-(4-methoxy-benzyl)-3-(3-methoxy-propyl)-3,7-dihydro-purine-2,6-dione
• 英文别名: 8-Cyclopentyl-7-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)purine-2,6-dione；8-cyclopentyl-7-[(4-methoxyphenyl)methyl]-3-(3-methoxypropyl)purine-2,6-dione
• CAS: 344796-53-8
• 化学式: C₂₂H₂₈N₄O₄
• 分子量: 412.489
• InChiKey: YIOTTWPNXKFCCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-Cyclopentyl-7-(4-methoxy-benzyl)-3-(3-methoxy-propyl)-3,7-dihydro-purine-2,6-dione 在 三溴化硼 、 potassium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 PSB-16
  参考文献：
  名称：

  Synthesis and use of FSCPX, an irreversible adenosine A1 antagonist, as a ‘Receptor Knock-Down’ tool

  摘要：

  A new preparative synthetic route for the irreversible adenosine A1 antagonist 8-cyclopentyl-3-N-[3-((3-(4-fluorosulphonyl)benzoyl)-oxy)-propyl]-1-N-propyl-xanthine (FSCPX, 1) is described. The availability of ample amounts of the irreversible antagonist FSCPX allowed us to use FSCPX as a research tool for adenosine A1 receptors in in vivo experiments. After verification of the irreversible antagonistic function of FSCPX in in vitro experiments, FSCPX was used successfully as a 'receptor knock-down' tool in in vivo experiments on conscious rats.

  DOI：

  10.1016/s0960-894x(01)00069-5
• 作为产物：
  描述：

  5,6-Diamino-1-(3-methoxy-propyl)-1H-pyrimidine-2,4-dione 在 4-二甲氨基吡啶 、 potassium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 8-Cyclopentyl-7-(4-methoxy-benzyl)-3-(3-methoxy-propyl)-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Synthesis and use of FSCPX, an irreversible adenosine A1 antagonist, as a ‘Receptor Knock-Down’ tool

  摘要：

  A new preparative synthetic route for the irreversible adenosine A1 antagonist 8-cyclopentyl-3-N-[3-((3-(4-fluorosulphonyl)benzoyl)-oxy)-propyl]-1-N-propyl-xanthine (FSCPX, 1) is described. The availability of ample amounts of the irreversible antagonist FSCPX allowed us to use FSCPX as a research tool for adenosine A1 receptors in in vivo experiments. After verification of the irreversible antagonistic function of FSCPX in in vitro experiments, FSCPX was used successfully as a 'receptor knock-down' tool in in vivo experiments on conscious rats.

  DOI：

  10.1016/s0960-894x(01)00069-5