1,3-Benzenedicarboxamide, N,N'-bis(5-methyl-1H-pyrazol-3-yl)- | 625386-01-8

• 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: 1,3-Benzenedicarboxamide, N,N'-bis(5-methyl-1H-pyrazol-3-yl)-
• 英文别名: 1-N,3-N-bis(5-methyl-1H-pyrazol-3-yl)benzene-1,3-dicarboxamide
• CAS: 625386-01-8
• 化学式: C₁₆H₁₆N₆O₂
• 分子量: 324.34
• InChiKey: LTMWXVQUSKHSCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur
  申请人：Schrader Thomas

  公开号：US20050239808A1

  公开（公告）日：2005-10-27

  The invention on hand refers to diseases associated with abnormal protein structures, including Alzheimer's disease, Creutzfeldt-Jakob's disease, BSE and other prion-associated diseases. It is the task of the invention on hand to provide new active agents preventing the formation of amyloid plaques and to dissolve existing plaques, such agents being convenient for therapy, diagnosis and prophylaxis of diseases that are associated with abnormal protein structures. This task is performed in terms of the current invention by heterocyclic or aromatic agents with a rigid structure and a donor-acceptor-donor pattern (DAD), the latter being formed by donors and acceptors of hydrogen bridge linkages which comply with the β-sheet structure of the peptide or protein and thus fit as binding partners. The heterocyclic or aromatic agents are available at least as dimers. They recognise peptides and proteins with a β-sheet structure, form stable complexes with them and inhibit their aggregation to β-amyloid plaques. Furthermore, the new active agents are able to dissolve β-amyloid plaques that already exist. Another task of the current invention is to provide methods for the synthesis of said heterocyclic or aromatic compounds.

  该发明涉及与异常蛋白结构相关的疾病，包括阿尔茨海默病、克雅氏病、疯牛病和其他与朊病毒相关的疾病。该发明的任务是提供新的活性剂，预防淀粉样斑块的形成并溶解现有的斑块，这些活性剂方便用于治疗、诊断和预防与异常蛋白结构相关的疾病。本发明通过具有刚性结构和给受体给体（DAD）模式的杂环或芳香族活性剂来执行此任务，后者由氢桥键的给体和受体组成，符合肽或蛋白的β-片层结构，因此适合作为结合伙伴。这些杂环或芳香族活性剂至少以二聚体的形式存在。它们能够识别具有β-片层结构的肽和蛋白质，与它们形成稳定的复合物并抑制它们聚集成β-淀粉样斑块。此外，这些新的活性剂能够溶解已经存在的β-淀粉样斑块。本发明的另一个任务是提供合成所述杂环或芳香族化合物的方法。