1-[2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-3-[2-fluoro-4-(1-isobutyl-piperidin-4-ylmethoxy)-phenyl]-urea | 870546-75-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-3-[2-fluoro-4-(1-isobutyl-piperidin-4-ylmethoxy)-phenyl]-urea
• 英文别名: 1-[2-(2-Tert-butylphenoxy)pyridin-3-yl]-3-[2-fluoro-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]phenyl]urea
• CAS: 870546-75-1
• 化学式: C₃₂H₄₁FN₄O₃
• 分子量: 548.701
• InChiKey: YOLYNCYHXFKXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  75.7
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(2-tert-butylphenoxy)-3-isocyanato-pyridine 在 盐酸 、 偶氮二甲酸二叔丁酯 、 palladium 10% on activated carbon 、 氢气 、 sodium cyanoborohydride 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 1-[2-(2-tert-butyl-phenoxy)-pyridin-3-yl]-3-[2-fluoro-4-(1-isobutyl-piperidin-4-ylmethoxy)-phenyl]-urea
  参考文献：
  名称：

  Discovery of diarylurea P2Y1 antagonists with improved aqueous solubility

  摘要：

  Preclinical data suggests that P2Y(1) antagonists, such as diarylurea compound 1, may provide antithrombotic efficacy similar to P2Y(12) antagonists and may have the potential of providing reduced bleeding liabilities. This manuscript describes a series of diarylureas bearing solublizing amine side chains as potent P2Y(1) antagonists. Among them, compounds 2l and 3h had improved aqueous solubility and maintained antiplatelet activity compared with compound 1. Compound 2l was moderately efficacious in both rat and rabbit thrombosis models and had a moderate prolongation of bleeding time in rats similar to that of compound 1. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.125

文献信息

• Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions
  申请人：Chao J. Hannguang

  公开号：US20050267119A1

  公开（公告）日：2005-12-01

  The present invention provides novel pyridyl or phenyl ureas and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型吡啶基或苯基脲及其类似物，它们是人类P2Y1受体的选择性抑制剂。本发明还提供了各种相应的制药组合物和调节P2Y1受体活性的治疗疾病的方法。
• UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS
  申请人：Chao Hannguang J.

  公开号：US20080280905A1

  公开（公告）日：2008-11-13

  The present invention provides novel pyridyl or phenyl ureas and analogues thereof, which are selective inhibitors of the human P2Y 1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y 1 receptor activity.

  本发明提供了新型吡啶基或苯基脲及其类似物，它们是选择性的人类P2Y1受体抑制剂。本发明还提供了各种该类药物组成物和调节P2Y1受体活性以治疗对其反应的疾病的方法。
• US7388021B2
  申请人：——

  公开号：US7388021B2

  公开（公告）日：2008-06-17
• US7674828B2
  申请人：——

  公开号：US7674828B2

  公开（公告）日：2010-03-09
• [EN] UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS<br/>[FR] ANTAGONISTES URÉIQUES DU RÉCEPTEUR P2Y1 POUR LE TRAITEMENT DES SYNDROMES THROMBOTIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005113511A1

  公开（公告）日：2005-12-01

  The present invention provides novel pyridyl or phenyl ureas and analogues thereof, which are selective inhibitors of the human P2Y1 receptor. The invention also provides for various pharmaceutical compositions of the same and methods for treating diseases responsive to modulation of P2Y1 receptor activity.