C2-substituted purine deriv. 3e

• 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: C2-substituted purine deriv. 3e
• 英文别名: 1-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]pentan-3-ol
• 化学式: C₂₀H₂₇N₅O
• 分子量: 353.467
• InChiKey: KICDMNVNNBMFEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  75.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙基乙炔基甲醇 在 palladium on activated charcoal bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 氢气 、 正丁胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 C2-substituted purine deriv. 3e
  参考文献：
  名称：

  Synthesis of C2 alkynylated purines, a new family of potent inhibitors of cyclin-dependent kinases

  摘要：

  The synthesis of a new family of inhibitors of the cell cycle regulating cyclin-dependent kinases (CDK's) is reported. These compounds, related to the purines olomoucine and roscovitine, are characterised by the presence of alkynylated side chains at C2. They inhibit CDK's with IC50's in the 200 nM range. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00097-3

文献信息

• Synthesis of C2 alkynylated purines, a new family of potent inhibitors of cyclin-dependent kinases
  作者：Michel Legraverend、Odile Ludwig、Emile Bisagni、Sophie Leclerc、Laurent Meijer

  DOI：10.1016/s0960-894x(98)00097-3

  日期：1998.4

  The synthesis of a new family of inhibitors of the cell cycle regulating cyclin-dependent kinases (CDK's) is reported. These compounds, related to the purines olomoucine and roscovitine, are characterised by the presence of alkynylated side chains at C2. They inhibit CDK's with IC50's in the 200 nM range. (C) 1998 Elsevier Science Ltd. All rights reserved.