MIND4A | 87236-38-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: MIND4A
• 英文别名: Quinoline, 8-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-5-nitro-；8-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitroquinoline
• CAS: 87236-38-2
• 化学式: C₂₃H₁₅N₅O₂S
• 分子量: 425.47
• InChiKey: RAPJMMAHETVTFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  8-氯-5-硝基喹啉 、 4,5-二苯基-4H-1,2,4-噻唑-3-硫醇 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以59%的产率得到MIND4A
  参考文献：
  名称：

  Synthesis and biological activity of some 5-heteromercapto-1,2,4-triazoles

  摘要：

  DOI：

  10.1007/bf00765770

文献信息

• KNYSH, E. G.;MAZUR, I. A.;SAVENKOVA, N. N.;STETS, V. R.;MARTYNOVSKIJ, A. +, XIM.-FARMATS. ZH., 1983, 17, N 7, 798-801
  作者：KNYSH, E. G.、MAZUR, I. A.、SAVENKOVA, N. N.、STETS, V. R.、MARTYNOVSKIJ, A. +

  DOI：——

  日期：——
• 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.
• Synthesis and biological activity of some 5-heteromercapto-1,2,4-triazoles
  作者：E. G. Knysh、I. A. Mazur、N. N. Savenkova、V. R. Smets、A. A. Martynovskii

  DOI：10.1007/bf00765770

  日期：1983.7