6-Benzylamino-2-(1-hydroxymethyl-propylamino)-9-isopropyl-9H-purin-8-ol

• 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: 6-Benzylamino-2-(1-hydroxymethyl-propylamino)-9-isopropyl-9H-purin-8-ol
• 英文别名: 6-(benzylamino)-2-(1-hydroxybutan-2-ylamino)-9-propan-2-yl-7H-purin-8-one
• 化学式: C₁₉H₂₆N₆O₂
• 分子量: 370.454
• InChiKey: ATGNBOMVABHJMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  102
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-bromoroscovitine hydrobromide 在 aq. base 作用下， 以89%的产率得到6-Benzylamino-2-(1-hydroxymethyl-propylamino)-9-isopropyl-9H-purin-8-ol
  参考文献：
  名称：

  2,6,8,9-Tetrasubstituted Purines as New CDK1 Inhibitors

  摘要：

  Purine inhibitors of cyclin-dependent kinases attract attention as potential anticancer drugs because their first representative roscovitine recently entered clinical trials. Although well described in terms of structure-activity relationships, we still present here a novel modification of the purine scaffold influencing their inhibitory properties. The introduced C-8 substituents, however, lowered the CDK inhibitory activity of roscovitine, whereas the antiproliferative potential of several derivatives remained high. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00632-2

文献信息

• 2,6,8,9-Tetrasubstituted Purines as New CDK1 Inhibitors
  作者：Jiřı́ Moravec、Vladimı́r Kryštof、Jan Hanuš、Libor Havlı́ček、Daniela Moravcová、Květoslava Fuksová、Marek Kuzma、René Lenobel、Michal Otyepka、Miroslav Strnad

  DOI：10.1016/s0960-894x(03)00632-2

  日期：2003.9

  Purine inhibitors of cyclin-dependent kinases attract attention as potential anticancer drugs because their first representative roscovitine recently entered clinical trials. Although well described in terms of structure-activity relationships, we still present here a novel modification of the purine scaffold influencing their inhibitory properties. The introduced C-8 substituents, however, lowered the CDK inhibitory activity of roscovitine, whereas the antiproliferative potential of several derivatives remained high. (C) 2003 Elsevier Ltd. All rights reserved.