4,4-dimethyl-3-quinolin-4-ylmethyl-5-thioxo-1-(4-trifluoromethoxyphenyl)imidazolidin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4,4-dimethyl-3-quinolin-4-ylmethyl-5-thioxo-1-(4-trifluoromethoxyphenyl)imidazolidin-2-one
• 英文别名: 4,4-Dimethyl-3-(quinolin-4-ylmethyl)-5-sulfanylidene-1-[4-(trifluoromethoxy)phenyl]imidazolidin-2-one
• 化学式: C₂₂H₁₈F₃N₃O₂S
• 分子量: 445.465
• InChiKey: VFUZHOWABQRWJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  77.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  劳森试剂 、 海因 在 hydantion SB 31051-139 作用下， 以 甲苯 为溶剂， 反应 9.0h， 以70%的产率得到4,4-dimethyl-3-quinolin-4-ylmethyl-5-thioxo-1-(4-trifluoromethoxyphenyl)imidazolidin-2-one
  参考文献：
  名称：

  Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors

  摘要：

  本发明涉及一种如下式的环脲化合物： 1 如本文所定义。该发明还涉及其制备方法，包括它的药物组合物以及其作为蛋白激酶抑制剂的药用，因此，它对于预防或治疗能够通过抑制蛋白激酶活性而调节的生理紊乱是有用的，比如固体肿瘤。

  公开号：

  US20040248884A1

文献信息

• Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors
  申请人：PATEK Marcel

  公开号：US20080108654A1

  公开（公告）日：2008-05-08

  The disclosure relates to a cyclic urea compound of formula I: as defined herein, to the process for its preparation, pharmaceutical composition comprising it and its pharmaceutical use as an inhibitor on a protein kinase. Thus, the compound of formula I is useful for preventing or treating a physiological disorder capable of being modulated by inhibiting the activity of a protein kinase, such as a solid tumor.

  本公开涉及一种公式I的环状脲化合物，如此定义，以及其制备过程，包含该化合物的制药组合物和其作为蛋白激酶抑制剂的药物用途。因此，公式I的化合物对于预防或治疗能够通过抑制蛋白激酶活性调节的生理紊乱，如实体肿瘤，是有用的。
• DERIVES D'UREE CYCLIQUE, LEUR PREPARATION ET LEUR UTILISATION PHARMACEUTIQUE COMME INHIBITEURS DE KINASES
  申请人：Aventis Pharma S.A.

  公开号：EP1599464A2

  公开（公告）日：2005-11-30
• CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) INHIBITORS
  申请人：Genzyme Corporation

  公开号：EP3188729A1

  公开（公告）日：2017-07-12
• CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS
  申请人：GENZYME CORPORATION

  公开号：US20170281641A1

  公开（公告）日：2017-10-05

  Tropomyosin-related kinase inhibitors (Trk inhibitors) are small molecule compounds useful in the treatment of disease. Trk inhibitors can be used as pharmaceutical agents and in pharmaceutical compositions. Trk inhibitors are useful in the treatment of inflammatory diseases, autoimmune disease, defects of bone metabolism and/or cancer, and are particularly useful in the treatment of osteoarthritis (OA), pain, and pain associated with OA. Trk inhibitors are also useful for inhibiting tropomyosin-related kinase A (TrkA), tropomyosin-receptor kinase B (TrkB), tropomyosin-receptor kinase C (TrkC), and/or c-FMS (the cellular receptor for colony stimulating factor-1 (CSF-1)).
• US7354933B2
  申请人：——

  公开号：US7354933B2

  公开（公告）日：2008-04-08