(1,5,8-Trimethyl-2-oxabicyclo[2.2.2]oct-4-yl)methyl acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: (1,5,8-Trimethyl-2-oxabicyclo[2.2.2]oct-4-yl)methyl acetate
• 英文别名: (1,5,8-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)methyl acetate
• 化学式: C₁₃H₂₂O₃
• 分子量: 226.31
• InChiKey: XUKHTJZFVQWUKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• SCREENING METHODS FOR AMYLOID BETA MODULATORS
  申请人：Slon-Usakiewicz Jacek

  公开号：US20110028719A1

  公开（公告）日：2011-02-03

  The present invention relates to methods for screening, identifying, and/or quantifying modulators of amyloid and/or aggregates, fibrils or components thereof, in particular modulators of amyloid β-peptide (Aβ) or Aβ fibrils. Aspects of the invention provide methods for screening putative modulators against an Amyloid target, in particular an Aβ target, so as to determine which modulators bind to or interact with the target, or interfere with the interaction of an indicator agent and the target. Particular aspects of the invention employ mass spectrometric methods for the screening of an Amyloid target against compound libraries, in particular mixtures of compounds or combinatorial libraries.