3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-4H-chromen-4-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}-4H-chromen-4-one
• 英文别名: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxychromen-4-one
• 化学式: C₂₄H₂₄O₉
• 分子量: 456.4
• InChiKey: HSXIRKWLCJJTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  9

文献信息

• OLIGONUCLEOTIDE BINDING AGENTS
  申请人：THE RNA MEDICINES COMPANY, INC.

  公开号：US20200048686A1

  公开（公告）日：2020-02-13

  The present disclosure relates to development and performance of screening methods capable of efficiently identifying candidate lead compounds that bind regulatory RNA oligonucleotides in a sequence-specific manner and exert a biological effect upon such regulatory molecules. Candidate lead compounds possessing RNA binding sequence specificity and targeted biological activity are described, as are approaches for merging structural, NMR-derived data with biological reporter assay results. Compound validation approaches capable of identifying the site(s) of action of such compounds within targeted RNA oligonucleotides are also provided.