6-dodecoxy-9H-purine | 319427-10-6

• 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-dodecoxy-9H-purine
• 英文别名: 6-dodecoxy-7H-purine
• CAS: 319427-10-6
• 化学式: C₁₇H₂₈N₄O
• 分子量: 304.436
• InChiKey: YSMFXTPOAOIAFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  22
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  63.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-dodecoxy-9H-purine 、 溴乙酸乙酯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 以100%的产率得到9-Purine Acetic Acid, 6-(Dodecyloxy)Ethyl Ester
  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
• 作为产物：
  描述：

  十二烷醇 、 6-氯嘌呤 在 sodium 作用下， 以63%的产率得到6-dodecoxy-9H-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

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.