7-<2-Hydroxy-butyl>-theophyllin | 41011-02-3

• 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: 7-<2-Hydroxy-butyl>-theophyllin
• 英文别名: 7-(β-Hydroxybutyl)theophyllin；7-(2-hydroxy-butyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione；7-(beta-Hydroxybutyl)theophylline；7-(2-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
• CAS: 41011-02-3
• 化学式: C₁₁H₁₆N₄O₃
• 分子量: 252.273
• InChiKey: FVYWRRDRUXVGII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  78.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• COMBINATION THERAPY TO IMPROVE DRUG EFFICIENCY
  申请人：Ding Rui

  公开号：US20120052005A1

  公开（公告）日：2012-03-01

  Compositions and methods for increasing drug bioavailability and/or preventing multi-drug resistance through inhibition of ABCG2 by xanthine compounds are disclosed.
• METHOD FOR IMPROVING LEARNING
  申请人：St. Jude Children's Research Hospital, Inc.

  公开号：US20180030453A1

  公开（公告）日：2018-02-01

  The invention is directed to a method for improving learning and/or memory (e.g., auditory, visual, somatosensory or motor) in adults and children of an age which is beyond the early critical period for learning, said method comprising inhibiting (i) ecto-5′-nucleotidase (Nt5e, aka CD73) or (ii) A1 adenosine receptor (A1R, aka Adora1) expression or function in the brain. The invention is also directed to a method for treating learning and memory defects and neurological diseases associated with an abnormal auditory, visual, or somatosensory perception by inhibiting Nt5e or A1R expression or function in the brain.