5-chloro-3-tert-butyl-N-(4-cyano-2-trifluoromethoxy-phenyl)-2-hydroxy-6-methyl-benzamide | 916060-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-chloro-3-tert-butyl-N-(4-cyano-2-trifluoromethoxy-phenyl)-2-hydroxy-6-methyl-benzamide
• 英文别名: 3-tert-butyl-5-chloro-N-[4-cyano-2-(trifluoromethoxy)phenyl]-2-hydroxy-6-methylbenzamide
• CAS: 916060-20-3
• 化学式: C₂₀H₁₈ClF₃N₂O₃
• 分子量: 426.823
• InChiKey: NPNWIXYAWSNRTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  82.4
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-chloro-3-tert-butyl-6-methylsalicylic acid 、 4-氨基-3-三氟甲氧基苯腈 生成 5-chloro-3-tert-butyl-N-(4-cyano-2-trifluoromethoxy-phenyl)-2-hydroxy-6-methyl-benzamide
  参考文献：
  名称：

  Novel Haloalkoxy-Substituted Salicylic Anilides

  摘要：

  本发明涉及一种作为化学解偶联剂的新化合物。本发明的化合物在治疗包括预防肥胖症、糖尿病和与之相关的多种疾病或疾病障碍中是有用的。

  公开号：

  US20090062396A1

文献信息

• Methods and compositions for treating conditions associated with an abnormal inflammatory response
  申请人：First Wave Bio, Inc.

  公开号：US10772854B2

  公开（公告）日：2020-09-15

  This disclosure features chemical entities (e.g., a compound exhibiting activity as a mitochondrial uncoupling agent or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as niclosamide or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as a niclosamide analog, or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof) that are useful, e.g., for treating one or more symptoms of a pathology characterized by an abnormal inflammatory response (e.g., inflammatory bowel diseases) in a subject (e.g., a human). This disclosure also features compositions as well as other methods of using and making the same.

  本公开的化学实体（例如，具有线粒体解偶联剂活性的化合物或其药学上可接受的盐和/或水合物和/或共晶体；例如，化合物，如烟酰胺或其药学上可接受的盐和/或水合物和/或共晶体；例如、化合物，如尼可刹米类似物，或其药学上可接受的盐和/或水合物和/或共晶体），这些化合物可用于治疗受试者（如人类）中以异常炎症反应（如炎症性肠病）为特征的病理学的一种或多种症状。本公开内容还包括组合物以及使用和制造组合物的其他方法。
• Methods and compositions for treating conditions associated with an abnormal inflammatory responses
  申请人：First Wave Bio, Inc.

  公开号：US10799468B2

  公开（公告）日：2020-10-13

  This disclosure features chemical entities (e.g., a compound exhibiting activity as a mitochondrial uncoupling agent or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as niclosamide or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as a niclosamide analog, or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof) that are useful, e.g., for treating one or more symptoms of a pathology characterized by an abnormal inflammatory response (e.g., inflammatory bowel diseases) in a subject (e.g., a human). This disclosure also features compositions as well as other methods of using and making the same.

  本公开的化学实体（例如，具有线粒体解偶联剂活性的化合物或其药学上可接受的盐和/或水合物和/或共晶体；例如，化合物，如烟酰胺或其药学上可接受的盐和/或水合物和/或共晶体；例如、化合物，如尼可刹米类似物，或其药学上可接受的盐和/或水合物和/或共晶体），这些化合物可用于治疗受试者（如人类）中以异常炎症反应（如炎症性肠病）为特征的病理学的一种或多种症状。本公开内容还包括组合物以及使用和制造组合物的其他方法。
• NOVEL HALOALKOXY-SUBSTITUTED SALICYLIC ANILIDES
  申请人：NOVO NORDISK A/S

  公开号：EP1888508A2

  公开（公告）日：2008-02-20
• METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES
  申请人：First Wave Bio, Inc.

  公开号：US20190298670A1

  公开（公告）日：2019-10-03

  This disclosure features chemical entities (e.g., a compound exhibiting activity as a mitochondrial uncoupling agent or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as niclosamide or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof; e.g., a compound, such as a niclosamide analog, or a pharmaceutically acceptable salt and/or hydrate and/or cocrystal thereof) that are useful, e.g., for treating one or more symptoms of a pathology characterized by an abnormal inflammatory response (e.g., inflammatory bowel diseases) in a subject (e.g., a human). This disclosure also features compositions as well as other methods of using and making the same.
• [EN] NOVEL HALOALKOXY-SUBSTITUTED SALICYLIC ANILIDES<br/>[FR] NOUVEAUX ANILIDES SALICYLIQUES SUBSTITUES PAR HALOALCOXY
  申请人：NOVO NORDISK AS

  公开号：WO2006125781A2

  公开（公告）日：2006-11-30

  [EN] The present invention relates to novel compounds that act as chemical uncouplers. Compounds of the invention are useful in the treatment, including prevention, of obesity, diabetes and a number of diseases or disorders associated therewith.
  [FR] L'invention concerne de nouveaux composés agissant comme des découpleurs chimiques. Les composés de l'invention sont utilisés pour traiter, notamment prévenir, l'obésité, le diabète et un certain nombre de maladies ou de troubles associés à l'obésité et au diabète.