5-chloro-7-fluoro-1,2-dihydro-2,2,4-trimethylquinoline | 1181824-94-1

• 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: 5-chloro-7-fluoro-1,2-dihydro-2,2,4-trimethylquinoline
• 英文别名: 5-chloro-7-fluoro-2,2,4-trimethyl-1H-quinoline
• CAS: 1181824-94-1
• 化学式: C₁₂H₁₃ClFN
• 分子量: 225.693
• InChiKey: DTJQQIBALSZZKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-氯-5-氟苯胺 、 丙酮 在 碘 作用下， 反应 15.0h， 生成 5-chloro-7-fluoro-1,2-dihydro-2,2,4-trimethylquinoline 、 7-chloro-5-fluoro-2,2,4-trimethyl-1,2-dihydroquinoline
  参考文献：
  名称：

  Discovery of orally available tetrahydroquinoline-based glucocorticoid receptor agonists

  摘要：

  A series of tetrahydroquinoline derivatives were synthesized and profiled for their ability to act as glucocorticoid receptor selective modulators. Structure-activity relationships of the tetrahydroquinoline B-ring lead to the discovery of orally available GR-selective agonists with high in vivo activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.093

文献信息

• [EN] STEROID HORMONE RECEPTOR MODULATOR COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS MODULATEURS DES RÉCEPTEURS DE L'HORMONE STÉROÏDIENNE ET PROCÉDÉS
  申请人：LIGAND PHARM INC

  公开号：WO2009103007A2

  公开（公告）日：2009-08-20

  This invention relates to compounds that bind to intracellular receptors and/or modulate activity of intracellular receptors, and to methods for making and using such compounds.
• Discovery of orally available tetrahydroquinoline-based glucocorticoid receptor agonists
  作者：Andrew R. Hudson、Robert I. Higuchi、Steven L. Roach、Mark E. Adams、Angela Vassar、Peter M. Syka、Dale E. Mais、Jeffrey N. Miner、Keith B. Marschke、Lin Zhi

  DOI：10.1016/j.bmcl.2011.01.093

  日期：2011.3

  A series of tetrahydroquinoline derivatives were synthesized and profiled for their ability to act as glucocorticoid receptor selective modulators. Structure-activity relationships of the tetrahydroquinoline B-ring lead to the discovery of orally available GR-selective agonists with high in vivo activity. (C) 2011 Elsevier Ltd. All rights reserved.