1-(5-t-butyl-3-isoxazolyl)-3-[4-(4-pyridinyloxy)benzyl]urea | 685533-69-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(5-t-butyl-3-isoxazolyl)-3-[4-(4-pyridinyloxy)benzyl]urea
• 英文别名: 1-(5-Tert-butyl-1,2-oxazol-3-yl)-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
• CAS: 685533-69-1
• 化学式: C₂₀H₂₂N₄O₃
• 分子量: 366.42
• InChiKey: OCJZCTMTZLEBSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  89.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-nitrophenyl (5-(tert-butyl)isoxazol-3-yl)carbamate 、 1-[4-(4-吡啶基氧基)苯基]甲胺 以 二氯甲烷 为溶剂， 反应 4.0h， 以56%的产率得到1-(5-t-butyl-3-isoxazolyl)-3-[4-(4-pyridinyloxy)benzyl]urea
  参考文献：
  名称：

  [EN] METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS
  [FR] DERIVES DE METHYLENE UREE

  摘要：

  公开号：

  WO2004037789A3

文献信息

• ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF
  申请人：Ohno Michihiro

  公开号：US20100016319A1

  公开（公告）日：2010-01-21

  This invention relates to a pharmaceutical comprising as an effective ingredient an arylmethylene urea exemplified by the following formula: or a pharmaceutically acceptable salt thereof. The arylmethylene urea and the pharmaceutically acceptable salts thereof are useful for therapy or prophylaxis of inflammatory bowel disease and overactive bladder.

  本发明涉及一种药物，其有效成分为以下式子所示的芳基亚甲基脲或其药学上可接受的盐： 该芳基亚甲基脲及其药学上可接受的盐可用于治疗或预防炎症性肠病和过度活跃的膀胱。
• Methylene urea derivative as RAF kinasse inhibitors
  申请人：Merck Patent GmbH

  公开号：EP2426122A1

  公开（公告）日：2012-03-07

  The present invention relates to methylene urea derivatives of formula I, the use of the compounds of formula I as inhibitors of raf-kinase, the use of the compounds of formula I for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.

  本发明涉及式 I 的亚甲基脲衍生物、式 I 化合物作为雷夫激酶抑制剂的用途、式 I 化合物用于制造药物组合物的用途以及治疗方法，包括将所述药物组合物施用给患者。
• METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS
  申请人：MERCK PATENT GmbH

  公开号：EP1562905A2

  公开（公告）日：2005-08-17
• Methylene urea derivatives
  申请人：Buchstaller Hans-Peter

  公开号：US20060199844A1

  公开（公告）日：2006-09-07

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.
• METHYLENE UREA DERIVATIVES
  申请人：Buchstaller Hans-Peter

  公开号：US20090298885A1

  公开（公告）日：2009-12-03

  The present invention relates to methylene urea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.