9-Butyl-6-decylsulfanyl-purine | 1428376-43-5

• 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: 9-Butyl-6-decylsulfanyl-purine
• 英文别名: 9-butyl-6-decylsulfanylpurine
• CAS: 1428376-43-5
• 化学式: C₁₉H₃₂N₄S
• 分子量: 348.556
• InChiKey: FGCCEXQAOBRYTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  24
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  68.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-氯癸烷 、 9-butyl-5H-purine-6(9H)-thione 在 potassium carbonate 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 以74%的产率得到9-Butyl-6-decylsulfanyl-purine
  参考文献：
  名称：

  6-Oxo and 6-thio purine analogs as antimycobacterial agents

  摘要：

  6-Oxo and 6-thio analogs of purine were prepared based on the initial activity screening of a small, diverse purine library against Mycobacterium tuberculosis (Mtb). Certain 6-oxo and 6-thio-substituted purine analogs described herein showed moderate to good inhibitory activity. N-9-substitution apparently enhances the anti-mycobacterial activity in the purine series described herein. Several 2-amino and 2-chloro purine analogs were also synthesized that showed moderate inhibitory activity against Mtb. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.054