4-(6-羟基萘-2-基)丁烷-2-酮 | 68427-22-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-(6-羟基萘-2-基)丁烷-2-酮
• 英文名称: 4-(6-hydroxy-2-naphthyl)-butan-2-one
• 英文别名: 4-(6-hydroxynaphthalen-2-yl)butan-2-one；4-(6-Hydroxy-2-naphthalenyl)-2-butanone
• CAS: 68427-22-5
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: MLTSMDXZECLWCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(6-羟基萘-2-基)丁烷-2-酮 在 哌啶 、 盐酸 、 potassium carbonate 、 苯甲酸 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 生成 5-<3-<6-(6-hydroxy-2,5,7,8-tetramethylchroman-2-yl-methoxy)-2-naphthyl>-1-methylpropylidene>thiazolidine-2,4-dione
  参考文献：
  名称：

  Synthesis and biological activity of novel thiazolidinediones

  摘要：

  Novel compounds having a dual pharmacophore were synthesised and evaluated for their insulin sensitiser and anti-inflammatory properties in different animal models. (C) 1998 Elsevier Science I,td. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00485-5
• 作为产物：
  描述：

  6-甲氧基-2-萘甲醛 在 palladium on activated charcoal 盐酸 、 sodium hydroxide 、 氢气 作用下， 以 溶剂黄146 、 乙酸乙酯 为溶剂， 生成 4-(6-羟基萘-2-基)丁烷-2-酮
  参考文献：
  名称：

  4-（6-甲氧基-2-萘基）丁-2--2-和相关类似物，一种新型的抗炎化合物结构。

  摘要：

  已经制备了一系列与4-（6-甲氧基-2-萘基）丁酮-2-酮有关的化合物，并通过棉粒肉芽肿法测试了其抗炎活性。在6位具有小亲脂性基团（如甲氧基，甲基或氯）并在萘环2位具有丁2-侧链的化合物最具活性。沿侧链引入甲基总是有害的。通常通过形成丁-2-醇侧链的酯来保持良好的活性。

  DOI：

  10.1021/jm00210a016

文献信息

• Compositions for use in treating parkinson's disease and related disorders
  申请人：Technophage, Investigação E Desenvolvimento Em Biotecnologia, SA

  公开号：US10471025B2

  公开（公告）日：2019-11-12

  The present invention relates to methods of treating and managing Parkinson's disease and related disorders. The methods especially find use in managing motor symptoms, including gait problems, particularly during advanced stages when effectiveness of standard medications wear off or side effects become problematic, as seen in Parkinson's disease, other disorders treated with dopaminergic agents, and other conditions associated with motor problems, such as aging or stroke. The treatment also may include disease-modifying effects, neuroprotection of, or neurorescue effects on neuronal cells in patients with Parkinson's disease and other neurodegenerative disorders. In particular, the invention relates to method of administering pharmaceutical compositions comprising effective amounts of tapentadol or a pharmaceutically acceptable salt or derivative thereof or, in other embodiments, stavudine or nabumetone, or a derivative thereof, for treating symptoms associated with Parkinson's disease, either as individual active agents, in combination with each other, or in combination with agents known to treat Parkinson's disease, such as the dopaminergic agent levodopa. The invention also relates to methods of preparing pharmaceutical compositions comprising effective amounts of tapentadol, stavudine, or nabumetone, or a derivative thereof, or further in combination with a dopaminergic agent, or derivative thereof, as well as to methods of using the pharmaceutical compositions in treating Parkinson's disease, related disorders, other conditions treated with dopaminergic agents, and other conditions with gait problems, for example by oral administration of the compositions.

  本发明涉及治疗和控制帕金森病及相关疾病的方法。这些方法尤其适用于控制运动症状，包括步态问题，特别是在标准药物疗效减退或副作用成为问题的晚期阶段，如帕金森病、使用多巴胺能药物治疗的其他疾病以及与运动问题相关的其他疾病，如衰老或中风。治疗还可包括对帕金森病和其他神经退行性疾病患者的神经元细胞产生疾病调节作用、神经保护作用或神经挽救作用。特别是，本发明涉及施用药物组合物的方法，该药物组合物包含有效量的他喷他多或其药学上可接受的盐或衍生物，或在其他实施方案中，他喷他多或萘丁美酮或其衍生物，用于治疗帕金森病相关症状，既可以作为单独的活性制剂，也可以相互组合，或与已知可治疗帕金森病的制剂（如多巴胺能制剂左旋多巴）组合。本发明还涉及制备包含有效量的他喷他多、司他夫定或萘丁美酮或其衍生物的药物组合物的方法，或进一步与多巴胺能制剂或其衍生物组合的方法，以及使用这些药物组合物治疗帕金森病、相关疾病、用多巴胺能制剂治疗的其他病症和有步态问题的其他病症的方法，例如通过口服这些组合物。
• 4-(6-Methoxy-2-naphthyl)butan-2-one and related analogs, a novel structural class of antiinflammatory compounds
  作者：Alexander C. Goudie、Laramie M. Gaster、Antony W. Lake、Carl J. Rose、Patricia C. Freeman、Bryn O. Hughes、David Miller

  DOI：10.1021/jm00210a016

  日期：1978.12

  A series of compounds related to 4-(6-methoxy-2-naphthyl)butan-2-one has been prepared and tested for antiinflammatory activity by the cotton pellet granuloma method. Compounds possessing a small lipophilic group such as methoxyl, methyl, or chloro in the 6 position in conjunction with a butan-2-one side chain in the 2 position of the naphthalene ring were most active. The indtroduction of a methyl

  已经制备了一系列与4-（6-甲氧基-2-萘基）丁酮-2-酮有关的化合物，并通过棉粒肉芽肿法测试了其抗炎活性。在6位具有小亲脂性基团（如甲氧基，甲基或氯）并在萘环2位具有丁2-侧链的化合物最具活性。沿侧链引入甲基总是有害的。通常通过形成丁-2-醇侧链的酯来保持良好的活性。
• Synthesis and biological activity of novel thiazolidinediones
  作者：C. Prabhakar、G. Madhusudhan、K. Sahadev、Ch. Maheedhara Reddy、M.R. Sarma、G.Om Reddy、R. Chakrabarti、C. Seshagiri Rao、T.Dileep Kumar、R. Rajagopalan

  DOI：10.1016/s0960-894x(98)00485-5

  日期：1998.10

  Novel compounds having a dual pharmacophore were synthesised and evaluated for their insulin sensitiser and anti-inflammatory properties in different animal models. (C) 1998 Elsevier Science I,td. All rights reserved.