4-Fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(quinolin-5-ylamino)methyl]pentan-2-yl]phenol | 611229-04-0

• 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-Fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(quinolin-5-ylamino)methyl]pentan-2-yl]phenol
• CAS: 611229-04-0
• 化学式: C₂₂H₂₂F₄N₂O₂
• 分子量: 422.422
• InChiKey: BCEBCGJPCPOGCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  65.4
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(Quinolin-5-ylamino)-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(trifluoromethyl)pentan-2-ol 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 生成 4-Fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(quinolin-5-ylamino)methyl]pentan-2-yl]phenol
  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

• US7329753B2
  申请人：——

  公开号：US7329753B2

  公开（公告）日：2008-02-12
• Discovery of quinolines as selective glucocorticoid receptor agonists
  作者：Stefan Jaroch、Markus Berger、Christoph Huwe、Konrad Krolikiewicz、Hartmut Rehwinkel、Heike Schäcke、Norbert Schmees、Werner Skuballa

  DOI：10.1016/j.bmcl.2010.07.125

  日期：2010.10

  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.