2-Methyl-3-{[(3-methylphenoxy)acetyl]amino}benzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Methyl-3-{[(3-methylphenoxy)acetyl]amino}benzoic acid
• 英文别名: 2-methyl-3-[[2-(3-methylphenoxy)acetyl]amino]benzoic acid
• 化学式: C₁₇H₁₇NO₄
• 分子量: 299.32
• InChiKey: BRSCYTVANKQJMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 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.