N-(2-(dimethylamino)ethyl)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide hydrochloride | 1147882-93-6

• 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: N-(2-(dimethylamino)ethyl)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide hydrochloride
• 英文别名: N-[2-(dimethylamino)ethyl]-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide;hydrochloride
• CAS: 1147882-93-6
• 化学式: C₁₈H₂₈N₂O₄*ClH
• 分子量: 372.892
• InChiKey: CZLFJJBVYRVJQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.42
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  86.7
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(2-(dimethylamino)ethyl)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 0.08h， 生成 N-(2-(dimethylamino)ethyl)-2-hydroxy-2-methyl-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dienyl)butanamide hydrochloride
  参考文献：
  名称：

  4-(p-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES

  摘要：

  揭示了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、乳酸中毒和中风（MELAS）、科恩斯-萨耶综合征（KSS），以及在本发明方法中有用的化合物，如4-(对喹啉基)-2-羟基丁酰胺衍生物。还揭示了用于治疗其他疾病的方法和化合物，如肌萎缩侧索硬化症（ALS）、亨廷顿病、帕金森病和广泛性发展障碍如自闭症。还揭示了用于评估受试者代谢状态和治疗疗效的能量生物标志物。还揭示了调节、规范或增强能量生物标志物的方法，以及用于这些方法的化合物。

  公开号：

  US20090118257A1

文献信息

• 4-(p-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases
  申请人：BioElectron Technology Corporation

  公开号：US10167251B2

  公开（公告）日：2019-01-01

  Methods of treating or suppressing mitochondrial diseases, such as Friedreich's ataxia (FRDA), Leber's Hereditary Optic Neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, and stroke (MELAS), Kearns-Sayre Syndrome (KSS), are disclosed, an well as compounds useful in the methods of the invention, such as 4-(p-quinolyl)-2-hydroxybutanamide derivatives. Methods and compounds useful in treating other disorders such as amyotrophic lateral sclerosis (ALS), Huntington's disease, Parkinson's disease and pervasive developmental disorders such as autism are also disclosed. 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.

  本发明公开了治疗或抑制线粒体疾病的方法，如弗里德雷氏共济失调（FRDA）、勒伯氏遗传性视神经病变（LHON）、线粒体肌病、脑病、乳酸中毒和中风（MELAS）、卡恩斯-赛尔综合征（KSS），以及用于本发明方法的化合物，如4-(对喹啉基)-2-羟基丁酰胺衍生物。本发明还公开了用于治疗其他疾病的方法和化合物，如肌萎缩性脊髓侧索硬化症（ALS）、亨廷顿氏病、帕金森氏病和广泛性发育障碍，如自闭症。还公开了有助于评估受试者代谢状态和治疗效果的能量生物标记物。还公开了调节、正常化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。
• 4-(P-quinonyl)-2-hydroxybutanamide derivatives for treatment of mitochondrial diseases
  申请人：PTC Therapeutics, Inc.

  公开号：US10968166B2

  公开（公告）日：2021-04-06

  Methods of treating or suppressing mitochondrial diseases, such as Friedreich's ataxia (FRDA), Leber's Hereditary Optic Neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, and stroke (MELAS), Kearns-Sayre Syndrome (KSS), are disclosed, as well as compounds useful in the methods of the invention, such as 4-(p-quinoly)-2-hydroxybutanamide derivatives. Methods and compounds useful in treating other disorders such as amyotrophic lateral sclerosis (ALS), Huntington's disease, Parkinson's disease, and pervasive developmental disorders such as autism are also disclosed. 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.

  本发明公开了治疗或抑制线粒体疾病的方法，如弗里德雷氏共济失调（FRDA）、勒伯氏遗传性视神经病变（LHON）、线粒体肌病、脑病、乳酸中毒和中风（MELAS）、卡恩斯-赛尔综合征（KSS），以及用于本发明方法的化合物，如4-（对-喹啉基）-2-羟基丁酰胺衍生物。本发明还公开了用于治疗其他疾病的方法和化合物，如肌萎缩性脊髓侧索硬化症（ALS）、亨廷顿氏病、帕金森氏病和广泛性发育障碍，如自闭症。还公开了有助于评估受试者代谢状态和治疗效果的能量生物标记物。还公开了调节、正常化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。
• 4- (P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES
  申请人：Edison Pharmaceuticals, Inc.

  公开号：EP2220030A2

  公开（公告）日：2010-08-25
• 4-(P-QUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES
  申请人：BioElectron Technology Corporation

  公开号：EP3018122B1

  公开（公告）日：2018-10-10
• 4-(pQUINONYL)-2-HYDROXYBUTANAMIDE DERIVATIVES FOR TREATMENT OF MITOCHONDRIAL DISEASES
  申请人：BioElectron Technology Corporation

  公开号：US20170313649A1

  公开（公告）日：2017-11-02

  Methods of treating or suppressing mitochondrial diseases, such as Friedreich's ataxia (FRDA), Leber's Hereditary Optic Neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, and stroke (MELAS), Kearns-Sayre Syndrome (KSS), are disclosed, an well as compounds useful in the methods of the invention, such as 4-(p-quinolyl)-2-hydroxybutanamide derivatives. Methods and compounds useful in treating other disorders such as amyotrophic lateral sclerosis (ALS), Huntington's disease, Parkinson's disease and pervasive developmental disorders such as autism are also disclosed. 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.