racemic 2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxy chroman methyl ester | 178167-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: racemic 2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxy chroman methyl ester
• 英文别名: 3-(6-Hydroxy-2,7,8-trimethyl-chroman-2-yl)-propionic acid methyl ester；Methyl 3-(6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl)propanoate
• CAS: 178167-79-8
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: YVFRTAHRUAYVRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  406.5±45.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  racemic 2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxy chroman methyl ester 在 Humicola languinosa lipase 作用下， 以 phosphate buffer 、 异丙醇 为溶剂， 反应 24.0h， 生成 (R)-2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxy chroman
  参考文献：
  名称：

  Kantoci, Darko; Wechter, William J.; Murray Jr., E. David, Journal of Pharmacology and Experimental Therapeutics, 1997, vol. 282, # 2, p. 648 - 656

  摘要：

  DOI：
• 作为产物：
  描述：

  重氮甲烷 、 3-(6-羟基-2,7,8-三甲基-3,4-二氢-2H-苯并吡喃-2-基)丙酸 以 甲醇 、 乙醚 为溶剂， 反应 1.0h， 以91%的产率得到racemic 2,7,8-trimethyl-2-(β-carboxyethyl)-6-hydroxy chroman methyl ester
  参考文献：
  名称：

  Kantoci, Darko; Wechter, William J.; Murray Jr., E. David, Journal of Pharmacology and Experimental Therapeutics, 1997, vol. 282, # 2, p. 648 - 656

  摘要：

  DOI：

文献信息

• Treatment of mitochondrial diseases
  申请人：Walkinshaw Gail

  公开号：US20050065099A1

  公开（公告）日：2005-03-24

  The invention relates the method of treatment or amelioration of mitochondrial disorders such as Alzheimer's disease, Parkinson's disease, Friedreich's ataxia (FRDA), cerebellar ataxias, Leber's hereditary optic neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, stroke (MELAS), Myoclonic Epilepsy with Ragged Red Fibers (MERFF), amyotrophic lateral sclerosis (ALS), motor neuron diseases, Huntington's disease, macular degeneration, and epilepsy, with chroman derivatives of Formula I or Formula II as described herein.

  这项发明涉及治疗或改善线粒体疾病，如阿尔茨海默病、帕金森病、弗里德雷希共济失调症（FRDA）、小脑共济失调、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）、带有红色纤维的肌阵挛性癫痫（MERFF）、肌萎缩侧索硬化症（ALS）、运动神经元疾病、亨廷顿病、黄斑变性和癫痫等疾病的治疗方法，所述方法使用本文描述的Formula I或Formula II的类胡萝卜素衍生物。
• Chroman derivatives for the reduction of inflammation symptoms
  申请人：——

  公开号：US20040097433A1

  公开（公告）日：2004-05-20

  The present invention provides a composition comprising chroman derivatives, for use in the reduction of inflammatory markers associated with inflammation, particularly for the reduction of C-reactive protein (CRP) and for use in the treatment and/or amelioration of symptoms of inflammation.

  本发明提供一种包含香豆素衍生物的组合物，用于减少与炎症相关的炎症标志物，特别是用于减少C-反应蛋白(CRP)，并用于治疗和/或缓解炎症症状。
• Use of gamma-tocopherol and its oxidative metabolite LLU-alpha in the treatment of disease
  申请人：Wechter J. William

  公开号：US20070037879A1

  公开（公告）日：2007-02-15

  The present invention is generally related to the discovery of the therapeutic benefit of administering γ-tocopherol and γ-tocopherol derivatives. More specifically, the use of γ-tocopherol and racemic LLU-α, (S)-LLU-α, or γ-tocopherol derivatives as antioxidants and nitrogen oxide scavengers which treat and prevent high blood pressure, thromboembolic disease, cardiovascular disease, cancer, natriuretic disease, the formation of neuropathological lesions, and a reduced immune system response are disclosed.

  本发明通常涉及发现给予γ-生育酚和γ-生育酚衍生物治疗的治疗效益。更具体地，本发明揭示了将γ-生育酚和外消旋LLU-α，(S)-LLU-α或γ-生育酚衍生物用作抗氧化剂和氮氧化物清除剂，用于治疗和预防高血压、血栓栓塞性疾病、心血管疾病、癌症、利尿病、神经病理性病变的形成以及免疫系统反应降低等。
• TREATMENT OF MITOCHONDRIAL DISEASES
  申请人：Ampere Life Sciences, Inc.

  公开号：US20130267538A1

  公开（公告）日：2013-10-10

  The invention relates the method of treatment or amelioration of mitochondrial disorders such as Alzheimer's disease, Parkinson's disease, Friedreich's ataxia (FRDA), cerebellar ataxias, Leber's hereditary optic neuropathy (LHON), mitochondrial myopathy, encephalopathy, lactacidosis, stroke (MELAS), Myoclonic Epilepsy with Ragged Red Fibers (MERFF), amyotrophic lateral sclerosis (ALS), motor neuron diseases, Huntington's disease, macular degeneration, and epilepsy, with chroman derivatives of Formula I or Formula II as described herein.

  本发明涉及使用式I或式II所描述的色酮衍生物的治疗或改善线粒体疾病的方法，例如阿尔茨海默病、帕金森病、弗里德雷希共济失调症（FRDA）、小脑共济失调、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）、带红纤维的肌阵挛性癫痫（MERFF）、肌萎缩侧索硬化症（ALS）、运动神经元疾病、亨廷顿病、黄斑退化和癫痫。
• Compositions and methods for the prevention and treatment of cerebral ischemia
  申请人：——

  公开号：US20020143049A1

  公开（公告）日：2002-10-03

  The present invention provides compositions and methods for the treatment of cerebral ischemia. In particular, the present invention provides gamma-, beta-, or delta-tocopherol enriched tocopherol compositions and gamma-, beta-, or delta-tocopherol metabolite enriched compositions and methods for their use in preventing or treating a cerebral ischemic condition. The present invention also provides pharmaceutical compositions comprising gamma-, beta-, or delta-tocopherol enriched tocopherol composition or a gamma-, beta-, or delta-tocopherol metabolite enriched composition in an amount effective to reduce neuronal damage related to a cerebral ischemic condition.

  本发明提供了治疗脑缺血的组合物和方法。特别是，本发明提供了γ-、β-或δ-生育酚富集生育酚组合物和γ-、β-或δ-生育酚代谢物富集组合物及其用于预防或治疗脑缺血病症的方法。本发明还提供了药物组合物，其中包含γ-、β-或δ-生育酚富集生育酚组合物或γ-、β-或δ-生育酚代谢物富集组合物，其用量可有效减少与脑缺血状况相关的神经元损伤。