Dibenzyl 4-[5-(dithiolan-3-yl)pentanoyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate

• 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: Dibenzyl 4-[5-(dithiolan-3-yl)pentanoyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
• 英文别名: dibenzyl 4-[5-(dithiolan-3-yl)pentanoyl]-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
• 化学式: C₃₂H₄₄N₄O₅S₂
• 分子量: 628.8
• InChiKey: HMSAGBBPQZSYFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  43
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Antioxidant Small Molecules Aimed at Targeting Metal-Based Oxidative Stress in Neurogenerative Disorders
  申请人：Texas Christian University

  公开号：US20140206862A1

  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.

  展示了具有抗氧化能力和淀粉样蛋白解聚能力的胺螯合物，这可能有助于针对神经退行性疾病中基于金属的氧化应激进行靶向治疗。Pyclen是一种常用于对比剂成像的骨架，可以重新用作抗氧化剂螯合剂，用于解聚淀粉样蛋白。通过将吡啶骨架转化为吡啶醇，可以显著增强pyclen的抗氧化能力，并通过细胞研究表明其具有更优越的抗氧化能力，同时保留了保护淀粉样蛋白免受金属离子聚集和解聚淀粉样蛋白聚集的螯合能力。还介绍了另一族基于杂环胺配体的分子。
• US8969549B2
  申请人：——

  公开号：US8969549B2

  公开（公告）日：2015-03-03
• [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.