N-{2-chloro-2'-[(trifluoromethyl)oxy]-4-biphenylyl}-2-[4-(ethylsulfonyl)phenyl]acetamide | 1426801-88-8

• 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: N-{2-chloro-2'-[(trifluoromethyl)oxy]-4-biphenylyl}-2-[4-(ethylsulfonyl)phenyl]acetamide
• 英文别名: N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
• CAS: 1426801-88-8
• 化学式: C₂₃H₁₉ClF₃NO₄S
• 分子量: 497.922
• InChiKey: CBYGRUDVWLATGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  80.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-溴-3-氯苯胺 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 1-羟基苯并三唑 、 caesium carbonate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 0.5h， 生成 N-{2-chloro-2'-[(trifluoromethyl)oxy]-4-biphenylyl}-2-[4-(ethylsulfonyl)phenyl]acetamide
  参考文献：
  名称：

  Discovery of Biaryl Amides as Potent, Orally Bioavailable, and CNS Penetrant RORγt Inhibitors

  摘要：

  A novel series of biaryl amides was identified as ROR gamma t inhibitors through core replacement of a starting hit 1. Structure activity relationship exploration on the biaryl moiety led to discovery of potent ROR gamma t inhibitors with good oral bioavailability and CNS penetration. Compounds 9a and 9g demonstrated excellent in vivo efficacy in EAE mice dose dependently with once daily oral administration.

  DOI：

  10.1021/acsmedchemlett.5b00122

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2013029338A1

  公开（公告）日：2013-03-07

  Disclosed are novel retinoid-related orphan receptor gamma (RORy) modulators and their use in the treatment of diseases mediated by RORy.

  揭示了一种新型的视黄醇相关孤儿受体γ（RORγ）调节剂，以及它们在治疗由RORγ介导的疾病中的用途。
• METHODS FOR TREATING ALCOHOLIC LIVER DISEASE, ALCOHOL-INDUCED BRAIN INJURY AND REDUCING ALCOHOL ADDICTION
  申请人：The Regents of the University of California

  公开号：US20210017268A1

  公开（公告）日：2021-01-21

  In alternative embodiments, provided are compositions, including products of manufacture and kits, and methods, for reducing addiction to alcohol, and for ameliorating, reversing, treating or preventing Alcoholic Liver Disease (ALD), or alcohol-induced brain injury, wherein optionally the alcohol-induced brain injury comprises neuronal death and astrogliosis (reducing alcohol-induced neuronal death and astrogliosis). In alternative embodiments, provided methods for administering to the individual in need thereof a compound or composition capable of inhibiting or decreasing the expression or activity of an IL-17 or IL-17 receptor (IL-17R) or RORγt protein, transcript and/or gene to treat or for use in: reducing addiction to alcohol; or ameliorating, reversing, treating or preventing Alcoholic Liver Disease (ALD) or alcohol-induced brain injury; or, inhibiting ROR γt to effectively block production of IL-17 cytokines and attenuate development of alcohol-induced liver fibrosis and brain damage.