(1R,2S)-2-[1-[(1,3-dioxobenzo[e]isoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: (1R,2S)-2-[1-[(1,3-dioxobenzo[e]isoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid
• 化学式: C₃₀H₂₈N₂O₅
• 分子量: 496.6
• InChiKey: AMXIZJANURIJRR-YGHPRADISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  95
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• Direct inhibitors of Keap1-Nrf2 interaction as antioxidant inflammation modulators
  申请人：Rutgers, The State University of New Jersey

  公开号：US10106502B2

  公开（公告）日：2018-10-23

  A method of identifying compounds as direct inhibitors of Keap1-Nrf2 interaction through high-throughput screening and lead development. The direct inhibitors of Keap1-Nrf2 interaction are more specific and free of various undesirable effects than existing indirect inhibitors, and are potential drug candidates of chemopreventive and therapeutic agents for treatment of various diseases or conditions involving oxidative stress and/or inflammation, including but not limited to cancers, diabetes, Alzheimer's, and Parkinson's. Novel compounds are identified and methods of preventing or treating diseases or conditions related to Keap1-Nrf2 interaction activity by use of the novel compounds identified or compositions containing such compounds are also disclosed.

  一种通过高通量筛选和先导化合物开发来确定作为 Keap1-Nrf2 相互作用直接抑制剂的化合物的方法。与现有的间接抑制剂相比，Keap1-Nrf2 相互作用的直接抑制剂更具特异性且无各种不良反应，是潜在的化学预防和治疗候选药物，可用于治疗涉及氧化应激和/或炎症的各种疾病或病症，包括但不限于癌症、糖尿病、阿尔茨海默氏症和帕金森氏症。本文鉴定了新型化合物，还公开了通过使用鉴定的新型化合物或含有此类化合物的组合物预防或治疗与Keap1-Nrf2相互作用活性有关的疾病或病症的方法。
• US20140256767A1
  申请人：——

  公开号：US20140256767A1

  公开（公告）日：2014-09-11