ethyl {4-[4,9-bis(ethyloxy)-6-methyl-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetate | 1028543-17-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: ethyl {4-[4,9-bis(ethyloxy)-6-methyl-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetate
• 英文别名: ethyl 2-[4-(4,9-diethoxy-6-methyl-1,3-dioxobenzo[f]isoindol-2-yl)phenyl]acetate
• CAS: 1028543-17-0
• 化学式: C₂₇H₂₇NO₆
• 分子量: 461.514
• InChiKey: BDMBKLOITZMRNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  diethyl 4-methyl phthalate 在 sodium ethanolate 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 ethyl {4-[4,9-bis(ethyloxy)-6-methyl-1,3-dioxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]phenyl}acetate
  参考文献：
  名称：

  Discovery of {4-[4,9-bis(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]-2-fluorophenyl}acetic acid (GSK726701A), a novel EP4 receptor partial agonist for the treatment of pain

  摘要：

  A novel series of EP4 agonists and antagonists have been identified, and then used to validate their potential in the treatment of inflammatory pain. This paper describes these novel ligands and their activity within a number of pre-chmcal models of pain, ultimately leading to the identification of the EP4 partial agonist GSK726701A. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2018.03.091

文献信息

• BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS
  申请人：Giblin Gerald Martin Paul

  公开号：US20090318523A1

  公开（公告）日：2009-12-24

  The present invention relates to benzoisoindole phenylacetic acid derivatives, corresponding pharmaceutical compositions, preparation processes and uses in medicine as EP4 receptor angonists.

  本发明涉及苯并异喹啉苯乙酸衍生物、相应的药物组合物、制备方法及其在医学上作为EP4受体激动剂的用途。
• WO2008/61955
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] BENZOISOINDOLE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR AGONISTS<br/>[FR] DÉRIVÉS DE BENZOISOINDOLE ET UTILISATION DE CEUX-CI EN TANT QU'AGONISTES DU RÉCEPTEUR EP4
  申请人：GLAXO GROUP LTD

  公开号：WO2008061955A1

  公开（公告）日：2008-05-29

  [EN] The present invention relates to benzoisoindole phenylacetic acid derivatives, to processes for their preparation, to pharmaceutical compositions containing them and to their use in medicine as EP4 receptor organists.
  [FR] La présente invention concerne des dérivés de l'acide benzoisoindolephénylacétique, des procédés pour la préparation de ceux-ci, des compositions pharmaceutiques contenant ceux-ci et l'utilisation de ceux-ci en médecine en tant qu'agonistes du récepteur EP4.
• Discovery of {4-[4,9-bis(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]-2-fluorophenyl}acetic acid (GSK726701A), a novel EP4 receptor partial agonist for the treatment of pain
  作者：Mark P. Healy、Amanda C. Allan、Kristin Bailey、Andy Billinton、Iain P. Chessell、Nicholas M. Clayton、Gerard M.P. Giblin、Melanie A. Kay、Tarik Khaznadar、Anton D. Michel、Alan Naylor、Helen Price、David J. Spalding、David A. Stevens、Martin E. Swarbrick、Alexander W. Wilson

  DOI：10.1016/j.bmcl.2018.03.091

  日期：2018.6

  A novel series of EP4 agonists and antagonists have been identified, and then used to validate their potential in the treatment of inflammatory pain. This paper describes these novel ligands and their activity within a number of pre-chmcal models of pain, ultimately leading to the identification of the EP4 partial agonist GSK726701A. (C) 2018 Elsevier Ltd. All rights reserved.