8-(1-phenylethyl)-9H-purine-2,6-diamine | 1123219-17-9

• 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-(1-phenylethyl)-9H-purine-2,6-diamine
• CAS: 1123219-17-9
• 化学式: C₁₃H₁₄N₆
• 分子量: 254.294
• InChiKey: ZICCMXKDCQSWAC-UHFFFAOYSA-N

物化性质

• 沸点：
  649.5±65.0 °C(predicted)
• 密度：
  1.391±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  106.5
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  2,4,5,6-四氨基嘧啶 、 2-苯基丙酸 在 亚磷酸三苯酯 作用下， 以 吡啶 为溶剂， 220.0 ℃ 、800.01 kPa 条件下， 反应 0.25h， 以48%的产率得到8-(1-phenylethyl)-9H-purine-2,6-diamine
  参考文献：
  名称：

  Microwave-assisted one step synthesis of 8-arylmethyl-9H-purin-6-amines

  摘要：

  Molecular chaperone heat shock protein 90 (Hsp90) is an important target in cancer and neurodegenerative diseases, and has rapidly become the focus of several drug discovery efforts. Among small molecule Hsp90 inhibitors with clinical applicability are derivatives of 8-arylmethyl-9H-purin-6-amine class. Here we report the use of microwave-assisted chemistry for the successful one-pot delivery of 8-arylmethyl-9H-purin-6-amines. We discuss the applicability as well as the limitations of this method towards the creation of a large chemical diversity in the 8-arylmethyl-9H-purin-6-amine series. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.057