5-(dithiolan-3-yl)-N-[2-[3-[2-[methyl(propyl)amino]ethyl]imidazolidin-1-yl]ethyl]pentanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫杂环戊烷
• 英文名称: 5-(dithiolan-3-yl)-N-[2-[3-[2-[methyl(propyl)amino]ethyl]imidazolidin-1-yl]ethyl]pentanamide
• 化学式: C₁₉H₃₈N₄OS₂
• 分子量: 402.7
• InChiKey: YJRXCFNHEIVUOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  26
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  89.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] ANTIOXIDANT SMALL MOLECULES AIMED AT TARGETING METAL-BASED OXIDATIVE STRESS IN NEURODEGNERATIVE DISORDERS<br/>[FR] PETITES MOLÉCULES ANTIOXYDANTES DESTINÉES À CIBLER LE STRESS OXYDATIF INDUIT PAR LES MÉTAUX DANS LES TROUBLES NEURODÉGÉNÉRATIFS
  申请人：TEXAS CHRISTIAN UNIVERSITY

  公开号：WO2014113624A1

  公开（公告）日：2014-07-24

  Amine chelates capable of antioxidant capacity and amyloid disaggregation are shown which may be useful in targeting metal-based oxidative stress in neurodegenerative disorders. Pyclen, a backbone commonly investigated for contrast agent imaging, may be repurposed as an anti-oxidant chelator for disaggregating amyloid. The antioxidant capacity of pyclen is enhanced dramatically via conversion of the pyridine backbone to a pyridol with cellular studies showing superior antioxidant capacity while retaining chelation ability to protect amyloid from metal ions aggregation and also disaggregate amyloid aggregates. Another family of molecules based upon hybrid heterocyclic amine ligands is also presented.