[3-(phenoxyacetyl)-1H-indol-1-yl]acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [3-(phenoxyacetyl)-1H-indol-1-yl]acetic acid
• 英文别名: 2-[3-(2-phenoxyacetyl)indol-1-yl]acetic acid
• 化学式: C₁₈H₁₅NO₄
• 分子量: 309.3
• InChiKey: ONFBOXNLBQHMNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• AMYLOID-BETA PEPTIDE CRYSTAL STRUCTURE
  申请人：NUTTALL Stewart Douglas

  公开号：US20140039155A1

  公开（公告）日：2014-02-06

  The invention relates provides a novel crystal structure of the fibrillogenic part of amyloid β-peptide (Aβ). More specifically the crystal structure is Aβ-IgNAR and, accordingly the present invention also relates to selecting and/or designing compounds that modulate amyloid β-peptide (Aβ) activity using techniques such as in silico screening and crystal soaking experiments. The invention further relates to compounds and methods for inhibiting interaction between amyloid β-peptide (Aβ) monomers, more particularly, inhibiting or disrupting amyloid β-peptide (Aβ) oligomer formation and toxic activity.
• US8524863B2
  申请人：——

  公开号：US8524863B2

  公开（公告）日：2013-09-03