Trifluoromethanesulfonic acid 1,5-naphthyridine-4-yl ester | 367953-14-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Trifluoromethanesulfonic acid 1,5-naphthyridine-4-yl ester
• 英文别名: 1,5-naphthyridin-4-yl trifluoromethanesulfonate
• CAS: 367953-14-8
• 化学式: C₉H₅F₃N₂O₃S
• 分子量: 278.212
• InChiKey: BHGPSDGWGMWRPW-UHFFFAOYSA-N

物化性质

• 沸点：
  366.8±42.0 °C(Predicted)
• 密度：
  1.622±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  77.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Trifluoromethanesulfonic acid 1,5-naphthyridine-4-yl ester 在 盐酸丙胺 作用下， 以85%的产率得到1,5-萘啶-4-胺
  参考文献：
  名称：

  1,3-Biarylureas as selective non-peptide antagonists of the orexin-1 receptor

  摘要：

  This communication reports SARs for the first orexin-1 receptor antagonist series of 1-aryl-3-quifiolin-4-yl and 1-aryl-3-naphthyridin-4-yl ureas. One of these compounds, 31 (5B-334867), has excellent selectivity for the orexin-1 receptor, blood-brain barrier permeability and shows in vivo activity following ip dosing. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00343-2
• 作为产物：
  描述：

  三氟甲磺酸酐 、 4-羟基-1,5-萘啶 在 2,6-二甲基吡啶 作用下， 以34%的产率得到Trifluoromethanesulfonic acid 1,5-naphthyridine-4-yl ester
  参考文献：
  名称：

  1,3-Biarylureas as selective non-peptide antagonists of the orexin-1 receptor

  摘要：

  This communication reports SARs for the first orexin-1 receptor antagonist series of 1-aryl-3-quifiolin-4-yl and 1-aryl-3-naphthyridin-4-yl ureas. One of these compounds, 31 (5B-334867), has excellent selectivity for the orexin-1 receptor, blood-brain barrier permeability and shows in vivo activity following ip dosing. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00343-2

文献信息

• SUBSTITUTED NAPHTHYRIDINONE COMPOUNDS USEFUL AS T CELL ACTIVATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3814348A1

  公开（公告）日：2021-05-05
• 1,3-Biarylureas as selective non-peptide antagonists of the orexin-1 receptor
  作者：Roderick A Porter、Wai N Chan、Steven Coulton、Amanda Johns、Michael S Hadley、Katherine Widdowson、Jeffrey C Jerman、Stephen J Brough、Martyn Coldwell、Darren Smart、Frances Jewitt、Phillip Jeffrey、Nigel Austin

  DOI：10.1016/s0960-894x(01)00343-2

  日期：2001.7

  This communication reports SARs for the first orexin-1 receptor antagonist series of 1-aryl-3-quifiolin-4-yl and 1-aryl-3-naphthyridin-4-yl ureas. One of these compounds, 31 (5B-334867), has excellent selectivity for the orexin-1 receptor, blood-brain barrier permeability and shows in vivo activity following ip dosing. (C) 2001 Elsevier Science Ltd. All rights reserved.