[2-氟-3-(三氟甲基)苯基](3-甲氧基苯基)甲酮 | 854778-39-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [2-氟-3-(三氟甲基)苯基](3-甲氧基苯基)甲酮
• 英文名称: [2-fluoro-3-(trifluoro-methyl)phenyl](3-methoxyphenyl)methanone
• 英文别名: [2-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxyphenyl)methanone
• CAS: 854778-39-5
• 化学式: C₁₅H₁₀F₄O₂
• 分子量: 298.237
• InChiKey: SOVFWZNNKXQQIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [2-氟-3-(三氟甲基)苯基](3-甲氧基苯基)甲酮 在 ammonium hydroxide 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 6.0h， 以70%的产率得到[2-amino-3-(trifluoro-methyl)phenyl](3-methoxyphenyl)methanone
  参考文献：
  名称：

  Biarylether amide quinolines as liver X receptor agonists

  摘要：

  A series of 4-(amido-biarylether)-quinolines was prepared as potential LXR agonists. Appropriate substitution with amide groups provided high affinity LXR ligands, some with excellent potency and efficacy in functional assays of LXR activity. Novel amide 4g had a binding IC50 = 1.9 nM for LXRb and EC50 = 34 nM (96% efficacy relative to T0901317) in an ABCA1 gene expression assay in mouse J774 cells, demonstrating that 4-(biarylether)-quinolines with appropriate amide substitution are potent LXR agonists (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.048
• 作为产物：
  描述：

  (3-methoxyphenyl)magnesium bromide 、 2-氟-N-甲氧基-N-甲基-3-(三氟甲基)苯甲酰胺 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.0h， 以88%的产率得到[2-氟-3-(三氟甲基)苯基](3-甲氧基苯基)甲酮
  参考文献：
  名称：

  Biarylether amide quinolines as liver X receptor agonists

  摘要：

  A series of 4-(amido-biarylether)-quinolines was prepared as potential LXR agonists. Appropriate substitution with amide groups provided high affinity LXR ligands, some with excellent potency and efficacy in functional assays of LXR activity. Novel amide 4g had a binding IC50 = 1.9 nM for LXRb and EC50 = 34 nM (96% efficacy relative to T0901317) in an ABCA1 gene expression assay in mouse J774 cells, demonstrating that 4-(biarylether)-quinolines with appropriate amide substitution are potent LXR agonists (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.12.048

文献信息

• Quinolines useful in treating cardiovascular disease
  申请人：Collini D. Michael

  公开号：US20050131014A1

  公开（公告）日：2005-06-16

  This invention provides compounds of formula I that are useful in the treatment or inhibition of LXR mediated diseases.

  本发明提供了式I化合物的用途，它们在治疗或抑制LXR介导的疾病中是有用的。
• QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE
  申请人：Wyeth, A Corporation of the State of Delaware

  公开号：EP1692111A2

  公开（公告）日：2006-08-23
• US7576215B2
  申请人：——

  公开号：US7576215B2

  公开（公告）日：2009-08-18
• [EN] QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE<br/>[FR] QUINOLINES CONVENANT POUR LE TRAITEMENT DE MALADIES CARDIO-VASCULAIRES
  申请人：WYETH CORP

  公开号：WO2005058834A2

  公开（公告）日：2005-06-30

  This invention provides compounds of formula (I) that are useful in the treatment or inhibition of LXR mediated diseases.
• Biarylether amide quinolines as liver X receptor agonists
  作者：Ronald C. Bernotas、Robert R. Singhaus、David H. Kaufman、John Ullrich、Horace Fletcher、Elaine Quinet、Ponnal Nambi、Rayomand Unwalla、Anna Wilhelmsson、Annika Goos-Nilsson、Mathias Farnegardh、Jay Wrobel

  DOI：10.1016/j.bmc.2008.12.048

  日期：2009.2

  A series of 4-(amido-biarylether)-quinolines was prepared as potential LXR agonists. Appropriate substitution with amide groups provided high affinity LXR ligands, some with excellent potency and efficacy in functional assays of LXR activity. Novel amide 4g had a binding IC50 = 1.9 nM for LXRb and EC50 = 34 nM (96% efficacy relative to T0901317) in an ABCA1 gene expression assay in mouse J774 cells, demonstrating that 4-(biarylether)-quinolines with appropriate amide substitution are potent LXR agonists (C) 2009 Elsevier Ltd. All rights reserved.