2-[trans-(4-aminocyclohexyl)amino]-6-[4-(1-(4-methoxybenzyl))piperidinylamino]-9-cyclopentylpurine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[trans-(4-aminocyclohexyl)amino]-6-[4-(1-(4-methoxybenzyl))piperidinylamino]-9-cyclopentylpurine
• 英文别名: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]purine-2,6-diamine
• 化学式: C₂₉H₄₂N₈O
• 分子量: 518.705
• InChiKey: AHKHMEIZBMXJPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  106
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(4-methoxybenzyl)piperidin-4-amine 以 乙醇 为溶剂， 反应 24.0h， 生成 2-[trans-(4-aminocyclohexyl)amino]-6-[4-(1-(4-methoxybenzyl))piperidinylamino]-9-cyclopentylpurine
  参考文献：
  名称：

  THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III

  摘要：

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.

  DOI：

  10.1081/ncn-100002493

文献信息

• THE DESIGN AND SYNTHESIS OF PURINE INHIBITORS OF CDK2. III
  作者：P. W. Shum、N. P. Peet、P. M. Weintraub、T. B. Le、Z. Zhao、F. Barbone、B. Cashman、J. Tsay、S. Dwyer、P. C. Loos、E. A. Powers、K. Kropp、P. S. Wright、A. Bitonti、J. Dumont、D. R. Borcherding

  DOI：10.1081/ncn-100002493

  日期：2001.3.31

  Cyclin-dependent kinases (CDKs) belong to a class of enzymes that control the ability of a cell to enter into and proceed through the cell division cycle. Using purine as a scaffold, we have synthesized a number of nanomolar inhibitors of CDK-2/cyclin E. In this report, the synthesis of a series of piperidine-substituted purine analogs will be presented, as well as some of their in vitro and in vivo biological effects.