7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one
• 英文别名: 7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2-one
• 化学式: C₂₉H₂₉Cl₃FN₃O
• 分子量: 560.926
• InChiKey: AHJFYTIHDCIFFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  35.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(2,6-dichlorophenyl)-5-bromo-7-methoxy-3,4-dihydro-2(1H)-quinazolinone 在 platinum(IV) oxide 四(三苯基膦)钯 、 氢气 、 三溴化硼 、 lithium chloride 作用下， 生成 7-(1-tert-butylpiperidin-4-yl)-5-(2-chloro-4-fluorophenyl)-1-(2,6-dichlorophenyl)-3,4-dihydroquinazolin-2(1H)-one
  参考文献：
  名称：

  Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase

  摘要：

  The development of potent, orally bioavailable (in rat) and selective dihydroquinazolinone inhibitors of p38alpha MAP kinase is described. These analogues are hybrids of a pyridinylimidazole p38alpha inhibitor reported by Merck Research Laboratories and VX-745. Optimization of the C-5 phenyl and the C-7 piperidinyl substituents led to the identification of 15i which gave excellent suppression of TNF-alpha production in LPS-stimulated whole blood (IC50 = 10 nM) and good oral exposure in rats (F = 68%, AUCn PO = 0.58 muM h). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00752-7

文献信息

• EGFR KINASE INHIBITOR COMBINATIONS FOR THE TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2086641A2

  公开（公告）日：2009-08-12
• PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS
  申请人：Jung Birgit

  公开号：US20100099651A1

  公开（公告）日：2010-04-22

  The present invention relates to novel pharmaceutical compositions comprising at least one EGFR kinase inhibitor and at least one additional active compound selected from beta-2 mimetics, steroids, PDE-IV inhibitors, p38 MAP kinase inhibitors, NK 1 antagonists, anticholinergics and endothelin antagonists, processes for preparing the compositions and the use thereof as medicament in the treatment of respiratory or gastrointestinal complaints, as well as inflammatory diseases of the joints, the skin or the eyes.
• [EN] NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS<br/>[FR] NOUVELLES COMPOSITIONS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES RESPIRATOIRES ET GASTRO-INTESTINAUX
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2008049842A2

  公开（公告）日：2008-05-02

  [EN] The present invention relates to novel pharmaceutical compositions comprising at least one EGFR kinase inhibitor and at least one additional active compound selected from beta-2 mimetics, steroids, PDE-IV inhibitors, p38 MAP kinase inhibitors, NK₁ antagonists, anticholinergics and endothelin antagonists, processes for preparing the compositions and the use thereof as medicament in the treatment of respiratory or gastrointestinal complaints, as well as inflammatory diseases of the joints, the skin or the eyes.
  [FR] La présente invention porte sur de nouvelles compositions pharmaceutiques comprenant au moins un inhibiteur de la EGFR kinase et au moins un composé actif supplémentaire choisi parmi les bêta-2 mimétiques, les stéroïdes, les inhibiteurs de PDE-IV, les inhibiteurs de la p38 MAP kinase, les antagonistes NK₁, les anticholinergiques et les antagonistes de l'endothéline, sur des procédés de préparation des compositions et sur l'utilisation de celles-ci comme médicament dans le traitement de troubles respiratoires ou gastro-intestinaux, ainsi que de maladies inflammatoires des articulations, de la peau ou des yeux.