2-((2,6-bis(decylthio)-9H-purin-9-yl)methoxy)ethanol | 1428376-31-1

• 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: 2-((2,6-bis(decylthio)-9H-purin-9-yl)methoxy)ethanol
• 英文别名: 2-[[2,6-Bis(decylsulfanyl)purin-9-yl]methoxy]ethanol；2-[[2,6-bis(decylsulfanyl)purin-9-yl]methoxy]ethanol
• CAS: 1428376-31-1
• 化学式: C₂₈H₅₀N₄O₂S₂
• 分子量: 538.863
• InChiKey: UOXVKOVCMWEQAV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  36
• 可旋转键数：
  24
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-癸硫醇 、 2,6-dichloro-9-<(2-hydroxyethoxy)methyl>purine 在 potassium tert-butylate 作用下， 以 异丙醇 为溶剂， 以26%的产率得到2-((2,6-bis(decylthio)-9H-purin-9-yl)methoxy)ethanol
  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

文献信息

• 6-Oxo and 6-thio purine analogs as antimycobacterial agents
  作者：Ashish K. Pathak、Vibha Pathak、Lainne E. Seitz、William J. Suling、Robert C. Reynolds

  DOI：10.1016/j.bmc.2013.01.054

  日期：2013.4

  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.