Deoxyandirobin | 6488-67-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: Deoxyandirobin
• 英文别名: Methyl 2-[2-[1-(furan-3-yl)-8a-methyl-5-methylidene-3-oxo-1,6,7,8-tetrahydroisochromen-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
• CAS: 6488-67-1
• 化学式: C₂₇H₃₂O₆
• 分子量: 452.547
• InChiKey: CUJHOPQCBJBWQL-UHFFFAOYSA-N

物化性质

• 熔点：
  180-182 °C
• 沸点：
  590.9±50.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  82.8
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• SCREENING ASSAY TO IDENTIFY CORRECTORS OF PROTEIN TRAFFICKING DEFECTS
  申请人：Thomas David Y.

  公开号：US20110009351A1

  公开（公告）日：2011-01-13

  The present invention relates to a novel assay or screen for identifying compounds with potential therapeutic value for the treatment of protein trafficking diseases such as Cystic Fibrosis (CF) and nephrogenic diabetes insipidus (NDI). The usual approach involves expressing the mutant form of the gene in cells and assaying function in a multiwell format when cells are exposed to libraries of compounds. Although such functional assays are useful, they do not directly test the ability of a compound to correct defective trafficking of the protein. To address this a novel corrector screening assay for CF has been developed in which the appearance of the mutant protein at the cell surface is measured as the assay output. This assay was used to screen more than 3100 compounds. This novel screening approach to protein trafficking diseases is robust and general, and may enable the selection of molecules that can be translated rapidly to a clinical setting.