3-(benzylsulfanyl)-5-[(naphthalen-1-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(benzylsulfanyl)-5-[(naphthalen-1-yloxy)methyl]-4-phenyl-4H-1,2,4-triazole
• 英文别名: 3-benzylsulfanyl-5-(naphthalen-1-yloxymethyl)-4-phenyl-1,2,4-triazole
• 化学式: C₂₆H₂₁N₃OS
• 分子量: 423.5
• InChiKey: LEDFCRCFWZPAOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Certain triazole-based compounds, compositions, and uses thereof
  申请人：Hodge Nicholas Carl

  公开号：US20050288347A1

  公开（公告）日：2005-12-29

  Thiotriazole-based chemical entities exhibiting ATP-utilizing enzyme inhibitory activity, methods of using such chemical entities, and compositions comprising such chemical entities, are described.

  描述了具有 ATP 利用酶抑制活性的硫代三唑类化学实体、使用此类化学实体的方法以及包含此类化学实体的组合物。
• SMALL MOLECULE ACTIVATORS OF NRF2 PATHWAY
  申请人：THE GENERAL HOSPITAL CORPORATION

  公开号：US20160101098A1

  公开（公告）日：2016-04-14

  This disclosure relates to compounds that act as activators of the NRF2/KEAP1/ARE pathway. Specifically, the compounds provided herein can act as high affinity reversible bindings for the NRF2 inhibitor, KEAP1. In some cases, NRF2/KEAP1/ARE pathway activation compounds are capable of repressing expression of inflammatory markers and/or reducing levels of TNFa to provide neuroprotective anti-inflammatory effects in the CNS. Such compounds are useful in the treatment of a variety of diseases including Huntington's disease, Parkinson's disease, Alzheimer's disease, inflammation, and cancer.
• US9737525B2
  申请人：——

  公开号：US9737525B2

  公开（公告）日：2017-08-22
• [EN] SMALL MOLECULE ACTIVATORS OF NRF2 PATHWAY<br/>[FR] ACTIVATEURS DE PETITES MOLÉCULES DE LA VOIE NRF2
  申请人：GEN HOSPITAL CORP

  公开号：WO2014197818A2

  公开（公告）日：2014-12-11

  This disclosure relates to compounds that act as activators of the NRF2/KEAP1/ARE pathway. Such compounds are useful in the treatment of a variety of diseases including Huntington's disease, Parkinson's disease, Alzheimer's disease, inflammation, and cancer.