3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{6-[4-(3-dimethylaminopropyl)phenylamino]pyrimidin-4-yl}-1-methylurea | 872511-38-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{6-[4-(3-dimethylaminopropyl)phenylamino]pyrimidin-4-yl}-1-methylurea
• 英文别名: Na(2)-(2,6-Dichloro-3,5-dimethoxyphenyl)-N-[6-[[4-[3-(dimethylamino)propyl]phenyl]amino]-4-pyrimidinyl]-N-methylurea；3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-[3-(dimethylamino)propyl]anilino]pyrimidin-4-yl]-1-methylurea
• CAS: 872511-38-1
• 化学式: C₂₅H₃₀Cl₂N₆O₃
• 分子量: 533.458
• InChiKey: ZKXNIXASIHIFMC-UHFFFAOYSA-N

物化性质

• 沸点：
  700.4±60.0 °C(Predicted)
• 密度：
  1.325±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2,6-二氯-3,5-二甲氧基苯胺 以 1,4-二氧六环 、 甲苯 为溶剂， 生成 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-{6-[4-(3-dimethylaminopropyl)phenylamino]pyrimidin-4-yl}-1-methylurea
  参考文献：
  名称：

  Discovery of 3-(2,6-Dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), A Potent and Selective Inhibitor of the Fibroblast Growth Factor Receptor Family of Receptor Tyrosine Kinase

  摘要：

  A novel series of N-aryl-N'-pyrimidin-4-yl ureas has been optimized to afford potent and selective inhibitors of the fibroblast growth factor receptor tyrosine kinases 1, 2, and 3 by rationally designing the substitution pattern of the aryl ring. On the basis of its in vitro profile, compound 1h (NVP-BGJ398) was selected for in vivo evaluation and showed significant antitumor activity in RT112 bladder cancer xenografts models overexpressing wild-type FGFR3. These results support the potential therapeutic use of 1h as a new anticancer agent.

  DOI：

  10.1021/jm2006222

文献信息

• COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS
  申请人：DING Qiang

  公开号：US20130012476A1

  公开（公告）日：2013-01-10

  The invention relates to compounds of formula (I) wherein the substituents X 1 , R 1 , R 2 , R 3 and R 4 have the meaning as set forth and explained in the description of the invention, to processes for the preparation of these compounds, pharmaceutical compositions containing same, the use thereof optionally in combination with one or more other pharmaceutically active compounds for the therapy of a disease which responds to an inhibition of protein kinase activity, and a method for the treatment of such a disease.

  本发明涉及公式（I）的化合物，其中取代基X1、R1、R2、R3和R4的含义如发明说明中所述和解释的那样，以及制备这些化合物的方法、包含它们的药物组合物，其可选择与一个或多个其他药理活性化合物结合使用，用于治疗对蛋白激酶活性抑制有反应的疾病，以及用于治疗这种疾病的方法。
• Compounds and Compositions as Protein Kinase Inhibitors
  申请人：Ding Qiang

  公开号：US20090137804A1

  公开（公告）日：2009-05-28

  The invention relates to compounds of formula (I) wherein the substituents X 1 , R 1 , R 2 , R 3 and R 4 have the meaning as set forth and explained in the description of the invention, to processes for the preparation of these compounds, pharmaceutical compositions containing same, the use thereof optionally in combination with one or more other pharmaceutically active compounds for the therapy of a disease which responds to an inhibition of protein kinase activity, and a method for the treatment of such a disease.

  本发明涉及公式（I）化合物，其中取代基X1，R1，R2，R3和R4的含义如本发明说明书所述和解释的那样，以及制备这些化合物的过程，包含它们的药物组合物，可选择与一种或多种其他药物活性化合物联合使用以治疗对蛋白激酶活性抑制有反应的疾病，以及治疗这种疾病的方法。
• Antagonist of the fibroblast growth factor receptor 3 (FGFR3) for use in the treatment or the prevention of skeletal disorders linked with abnormal activation of FGFR3
  申请人：INSTITUT NATIONAL DE LA SANTE ET DE LE RECHERCHE MEDICALE (INSERM)

  公开号：US11357778B2

  公开（公告）日：2022-06-14

  The present invention relates to the treatment or prevention of skeletal disorders, at particular skeletal diseases, developed by patients that display abnormal increased activation of the fibroblast growth factor receptor 3 (FGFR3), in particular by expression of a constitutively activated mutant of FGFR3.

  本发明涉及治疗或预防由成纤维细胞生长因子受体 3（FGFR3）异常活化增加，特别是通过表达 FGFR3 的组成型活化突变体而引起的骨骼疾病，尤其是骨骼疾病。
• PYRIMIDINE UREA DERIVATIVES AS KINASE INHIBITORS
  申请人：Novartis AG

  公开号：EP1761505B1

  公开（公告）日：2011-08-17
• Pyrimidine urea derivatives as kinase inhibitors
  申请人：Novartis AG

  公开号：EP2409969B1

  公开（公告）日：2013-07-24