4-(5-Fluoro-2-methoxyphenyl)-4-methyl-1-(2-methylquinolin-5-ylamino)-2-(trifluoromethyl)pentan-2-ol | 611229-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(5-Fluoro-2-methoxyphenyl)-4-methyl-1-(2-methylquinolin-5-ylamino)-2-(trifluoromethyl)pentan-2-ol
• 英文别名: 1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
• CAS: 611229-35-7
• 化学式: C₂₄H₂₆F₄N₂O₂
• 分子量: 450.476
• InChiKey: OUFQSIUBFDHEQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  54.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(5-Fluoro-2-methoxyphenyl)-4-methyl-1-(2-methylquinolin-5-ylamino)-2-(trifluoromethyl)pentan-2-ol 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 4-(5-Fluoro-2-hydroxyphenyl)-4-methyl-1-(2-methylquinolin-5-ylamino)-2-(trifluoromethyl)-pentan-2-ol
  参考文献：
  名称：

  Discovery of quinolines as selective glucocorticoid receptor agonists

  摘要：

  The dissociated glucocorticoid receptor (GR) agonist ZK 216348 is rendered GR-selective over other nuclear hormone receptors through replacing the methylbenzoxazine with a quinoline moiety. Compounds were shown to be efficacious in cell assays with respect to inflammation endpoints, along with reduced activity in a transactivation assay, hinting at an improved therapeutic window over corticosteroids. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.125
• 作为产物：
  描述：

  2-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropyl]-2-(trifluoromethyl)oxirane 、 5-氨基喹哪啶 在 N,N-二甲基丙烯基脲 作用下， 生成 4-(5-Fluoro-2-methoxyphenyl)-4-methyl-1-(2-methylquinolin-5-ylamino)-2-(trifluoromethyl)pentan-2-ol
  参考文献：
  名称：

  Discovery of quinolines as selective glucocorticoid receptor agonists

  摘要：

  The dissociated glucocorticoid receptor (GR) agonist ZK 216348 is rendered GR-selective over other nuclear hormone receptors through replacing the methylbenzoxazine with a quinoline moiety. Compounds were shown to be efficacious in cell assays with respect to inflammation endpoints, along with reduced activity in a transactivation assay, hinting at an improved therapeutic window over corticosteroids. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.125

文献信息

• Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors
  申请人：Schering AG

  公开号：US20040116694A1

  公开（公告）日：2004-06-17

  The invention relates to quinoline and isoquinoline derivatives of general formula I 1 a process for their production and their use as inflammation inhibitors.

  本发明涉及通式I的喹啉和异喹啉衍生物，以及其制备方法和作为抗炎药物的用途。
• CHINOLIN- UND ISOCHINOLIN-DERIVATE, EIN VERFAHREN ZU IHRER HERSTELLUNG UND IHRE VERWENDUNG ALS ENTZÜNDUNGSHEMMER
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP1492771A1

  公开（公告）日：2005-01-05
• PHARMACEUTICAL COMPOSITION FOR TOPICAL APPLICATION OF POORLY SOLUBLE COMPOUNDS
  申请人：Intendis GmbH

  公开号：EP2182918A2

  公开（公告）日：2010-05-12
• US6897224B2
  申请人：——

  公开号：US6897224B2

  公开（公告）日：2005-05-24
• US7109212B2
  申请人：——

  公开号：US7109212B2

  公开（公告）日：2006-09-19