2-(3-hydroxy-3-methylbutyl)-5,6-dimethyl-3-(3-(trifluoromethyl)phenyl)cyclohexa-2,5-diene-1,4-dione | 1173001-74-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(3-hydroxy-3-methylbutyl)-5,6-dimethyl-3-(3-(trifluoromethyl)phenyl)cyclohexa-2,5-diene-1,4-dione
• 英文别名: 2-(3-Hydroxy-3-methylbutyl)-5,6-dimethyl-3-[3-(trifluoromethyl)phenyl]cyclohexa-2,5-diene-1,4-dione
• CAS: 1173001-74-5
• 化学式: C₂₀H₂₁F₃O₃
• 分子量: 366.38
• InChiKey: PSAVQCQBOXFMJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] (HET) ARYL-p-QUINONE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES<br/>[FR] DÉRIVÉS DE (HÉT)ARYL-P-QUINONE POUR LE TRAITEMENT DE MALADIES MITOCHONDRIALES
  申请人：EDISON PHARMACEUTICALS INC

  公开号：WO2009089224A1

  公开（公告）日：2009-07-16

  Methods of treating or suppressing mitochondrial diseases, such as Friedreich's ataxia (FRDA), Leber's Hereditary Optic Neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, stroke (MELAS), Kearns- Sayre Syndrome (KSS), are disclosed, as well as compounds useful in the methods of the invention, such as 2-(3-hydroxy-3-methylbutyl)-6-(het)aryl-p-quinone or as 2-(3- hydroxy-3-methylbutyl)-3-(het)aryl-p-quinone derivatives. Energy biomarkers useful in assessing the metabolic state of a subject and the efficacy of treatment are also disclosed. Methods of modulating, normalizing, or enhancing energy biomarkers, as well as compounds useful for such methods, are also disclosed.

  本发明公开了用于治疗或抑制线粒体疾病的方法，例如弗里德雷希共济失调症（FRDA）、勒伯遗传性视神经病变（LHON）、线粒体肌病、脑病、乳酸中毒、中风（MELAS）、克恩斯-萨耶综合征（KSS），以及在本发明方法中有用的化合物，例如2-(3-羟基-3-甲基丁基)-6-(杂)芳基-p-喹酮或2-(3-羟基-3-甲基丁基)-3-(杂)芳基-p-喹酮衍生物。本发明还公开了用于评估受试者代谢状态和治疗效果的能量生物标志物。本发明还公开了调节、规范或增强能量生物标志物的方法，以及用于此类方法的化合物。
• Impaired energy processing disorders and mitochondrial deficiency
  申请人：Shchepinov Mikhail S.

  公开号：US10058612B2

  公开（公告）日：2018-08-28

  Some aspects of the invention provide for a method of treating Impaired Energy Processing Disorders and Mitochondrial Deficiencies using polyunsaturated fatty acids which are modified in certain positions to attenuate oxidative damage by Reactive Oxygen Species (ROS) and/or suppress the rate of formation of reactive products and toxic compounds.

  该发明的某些方面提供了一种治疗能量处理障碍和线粒体缺陷的方法，使用在特定位置被修饰以减轻活性氧（ROS）氧化损伤和/或抑制反应产物和有毒化合物形成速率的多不饱和脂肪酸。
• (HET)ARYL-P-QUINONE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES
  申请人：HIinman Andrew W.

  公开号：US20110046219A1

  公开（公告）日：2011-02-24

  Methods of treating or suppressing mitochondrial diseases, such as Friedreich's ataxia (FRDA), Leber's Hereditary Optic Neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, stroke (MELAS), Kearns-Sayre Syndrome (KSS), are disclosed, as well as compounds useful in the methods of the invention, such as 2-(3-hydroxy-3-methyl-butyl)-6-(het)aryl-p-quinone or as 2-(3-hydroxy-3-methylbutyl)-3-(het)aryl-p-quinone derivatives. Energy biomarkers useful in assessing the metabolic state of a subject and the efficacy of treatment are also disclosed. Methods of modulating, normalizing, or enhancing energy biomarkers, as well as compounds useful for such methods, are also disclosed.

  本发明揭示了治疗或抑制线粒体疾病的方法，例如弗里德莱希共济失调症（FRDA）、勒伯遗传性视神经病变（LHON）、线粒体肌病、脑病、乳酸中毒、中风（MELAS）、克恩斯-萨耶综合征（KSS），以及在本发明方法中有用的化合物，例如2-（3-羟基-3-甲基-丁基）-6-（het）芳基-p-醌或2-（3-羟基-3-甲基丁基）-3-（het）芳基-p-醌衍生物。本发明还揭示了有用于评估受试者代谢状态和治疗效果的能量生物标志物。本发明还揭示了调节、正常化或增强能量生物标志物的方法，以及用于这些方法的有用化合物。
• NEURODEGENERATIVE DISORDERS AND MUSCLE DISEASES IMPLICATING PUFAS
  申请人：Shchepinov Mikhail S.

  公开号：US20140147428A1

  公开（公告）日：2014-05-29

  Some aspects of the invention provide for a method of treating Alzheimer's Disease, Mild Cognitive Impairment, Frontotemperal Dementia, Amyotrophic Lateral Sclerosis and/or Multiple Sclerosis using polyunsaturated fatty acids which are modified in certain positions to attenuate oxidative damage by Reactive Oxygen Species (ROS) and/or suppress the rate of formation of reactive products and toxic compounds.

  该发明的某些方面提供了一种使用在特定位置被修饰的多不饱和脂肪酸来治疗阿尔茨海默病、轻度认知障碍、额颞型痴呆、肌萎缩侧索硬化和/或多发性硬化症的方法，以减轻反应性氧化物（ROS）所引起的氧化损伤和/或抑制反应性产物和有毒化合物的形成速率。
• OXIDATIVE RETINAL DISEASES
  申请人：Shchepnov Mikhail S.

  公开号：US20140044693A1

  公开（公告）日：2014-02-13

  Some aspects of the invention provide for a method of treating Wet and/or Dry Age-related Macular Degeneration, Retinitis Pigmentosa, Diabetic Retinopathy, cataracts, and/or Stargardt Disease using polyunsaturated fatty acids which are modified in certain positions to attenuate oxidative damage by Reactive Oxygen Species (ROS) and/or suppress the rate of formation of reactive products and toxic compounds.

  本发明的某些方面提供了一种治疗湿性和/或干性老年性黄斑变性、色素性视网膜炎、糖尿病性视网膜病变、白内障和/或斯塔格德病的方法，该方法使用在特定位置上改性的多不饱和脂肪酸，以减轻反应性氧化物（ROS）引起的氧化损伤和/或抑制反应性产物和有毒化合物的形成速率。