N-{4-[(5,5-dimethyl-2,4-dioxo-3-{4-[(trifluoromethyl)thio]phenyl}imidazolidin-1-yl)methyl]pyridin-2-yl}acetamide

• 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: N-{4-[(5,5-dimethyl-2,4-dioxo-3-{4-[(trifluoromethyl)thio]phenyl}imidazolidin-1-yl)methyl]pyridin-2-yl}acetamide
• 英文别名: N-{4-[5,5-dimethyl-2,4-dioxo-3-(4-trifluoromethylsulfanylphenyl)imidazolidin-1-ylmethyl]pyrid-2-yl}acetamide；N-[4-[[5,5-dimethyl-2,4-dioxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidin-1-yl]methyl]pyridin-2-yl]acetamide
• 化学式: C₂₀H₁₉F₃N₄O₃S
• 分子量: 452.457
• InChiKey: JXIZWVBNXZXRKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-{4-[(5,5-dimethyl-2,4-dioxo-3-{4-[(trifluoromethyl)thio]phenyl}imidazolidin-1-yl)methyl]pyridin-2-yl}acetamide 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以75%的产率得到1-(2-aminopyrid-4-ylmethyl)-5,5-dimethyl-3-(4-trifluoromethylsulfanylphenyl)imidazolidine-2,4-dione
  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
• 作为产物：
  描述：

  乙酰胺 、 1-(2-chloropyrid-4-ylmethyl)-5,5-dimethyl-3-(4-trifluoromethylsulfanylphenyl)imidazolidine-2,4-dione 在 palladium diacetate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 生成 N-{4-[(5,5-dimethyl-2,4-dioxo-3-{4-[(trifluoromethyl)thio]phenyl}imidazolidin-1-yl)methyl]pyridin-2-yl}acetamide
  参考文献：
  名称：

  Novel Sulphur-Containing Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors

  摘要：

  该公开涉及到以下式（I）的化合物：其中Ra、Rb、R和n如披露中所定义，以及包含该化合物的药物组合物，以及制备和使用该化合物的方法。

  公开号：

  US20090082329A1

文献信息

• Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors
  申请人：AVENTIS PHARMA S.A.

  公开号：US20040248884A1

  公开（公告）日：2004-12-09

  The present invention relates to a cyclic urea compound of formula I: 1 as defined herein. The invention is also directed to the process for its preparation, pharmaceutical composition comprising it and its pharmaceutical use, as an inhibitor on a protein kinase. Thus, it 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。
• Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: Advantages in comparison with competitive inhibitors
  作者：Dominique Lesuisse、Jacques Mauger、Conception Nemecek、Sébastien Maignan、Janine Boiziau、Greg Harlow、Augustin Hittinger、Swen Ruf、Hartmut Strobel、Anil Nair、Kurt Ritter、Jean-Luc Malleron、Anne Dagallier、Youssef El-Ahmad、Jean-Pierre Guilloteau、Houlfa Guizani、Hervé Bouchard、Corinne Venot

  DOI：10.1016/j.bmcl.2011.03.003

  日期：2011.4

  A new series of IGF-1R inhibitors related to hydantoins were identified from a lead originating from HTS. Their noncompetitive property as well as their slow binding characteristics provided a series of compounds with unique selectivity and excellent cellular activities.

  从源自HTS的铅中鉴定了一系列与乙内酰脲相关的IGF-1R抑制剂。它们的非竞争性质以及缓慢的结合特性为一系列化合物提供了独特的选择性和出色的细胞活性。
• 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。
• Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors
  申请人：Aventis Pharma SA

  公开号：US07354933B2

  公开（公告）日：2008-04-08

  The present invention relates to a cyclic urea compound of formula I: as defined herein. The invention is also directed to the process for its preparation, pharmaceutical composition comprising it and its pharmaceutical use, as an inhibitor on a protein kinase. Thus, it 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.

  本发明涉及一种公式I的环状脲化合物，如本文所定义。该发明还涉及其制备过程、包含它的药物组成物及其作为蛋白激酶抑制剂的药物用途。因此，它可用于预防或治疗能够通过抑制蛋白激酶活性来调节的生理紊乱，如实体肿瘤。
• Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors
  申请人：Aventis Pharma S.A.

  公开号：US07825115B2

  公开（公告）日：2010-11-02

  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.

  本发明涉及一种公式I的环状脲化合物，其定义如下，以及其制备过程、包含它的药物组合物和其作为蛋白激酶抑制剂的药物用途。因此，公式I的化合物可用于预防或治疗可通过抑制蛋白激酶活性调节的生理紊乱，如实体肿瘤。