2-[2-(2-Hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone;hydrobromide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-[2-(2-Hydroxyethylamino)benzimidazol-1-yl]-1-naphthalen-1-ylethanone;hydrobromide
• 化学式: C21H20BrN3O2
• 分子量: 426.3
• InChiKey: ARNJWXPLPOGTID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.05
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  67.2
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• AMYLOID-BETA PEPTIDE CRYSTAL STRUCTURE
  申请人：Commonwealth Scientific and Industrial Research Organisation

  公开号：EP2344545A1

  公开（公告）日：2011-07-20
• US8524863B2
  申请人：——

  公开号：US8524863B2

  公开（公告）日：2013-09-03
• [EN] AMYLOID-BETA PEPTIDE CRYSTAL STRUCTURE<br/>[FR] STRUCTURE CRISTALLINE DE PEPTIDE BÊTA-AMYLOÏDE
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2010040175A1

  公开（公告）日：2010-04-15

  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.