3-(Dimethylamino)-1-[4-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1,3,5-triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-1-one | 1097919-84-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-(Dimethylamino)-1-[4-[3-methoxy-4-[[4-(2-propan-2-ylsulfonylanilino)-1,3,5-triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-1-one
• CAS: 1097919-84-0
• 化学式: C₂₈H₃₈N₈O₄S
• 分子量: 582.727
• InChiKey: IOIPLGSVTCQGTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• DI(ARYLAMINO)ARYL COMPOUND
  申请人：KONDOH Yutaka

  公开号：US20130096100A1

  公开（公告）日：2013-04-18

  The present invention provides a compound which is useful as an inhibitor against the kinase activity of EML4-ALK fusion proteins and mutant EGFR proteins. As a result of extensive and intensive studies on compounds having an inhibitory effect against the kinase activity of EML4-ALK fusion proteins and mutant EGFR proteins, the inventors of the present invention have found that the di(arylamino)aryl compound of the present invention has inhibitory activity against the kinase activity of EML4-ALK fusion proteins and mutant EGFR proteins. This finding led to the completion of the present invention. The compound of the present invention can be used as a pharmaceutical composition for preventing and/or treating cancer, lung cancer, non-small cell lung cancer, small cell lung cancer, EML4-ALK fusion polynucleotide-positive and/or mutant EGFR polynucleotide-positive cancer, EML4-ALK fusion polynucleotide-positive and/or mutant EGFR polynucleotide-positive lung cancer, or EML4-ALK fusion polynucleotide-positive and/or mutant EGFR polynucleotide-positive non-small cell lung cancer, etc.

  本发明提供了一种化合物，用作抑制EML4-ALK融合蛋白和突变EGFR蛋白的激酶活性的抑制剂。由于对具有抑制EML4-ALK融合蛋白和突变EGFR蛋白的激酶活性的化合物进行广泛和深入的研究，本发明的发明人发现本发明的二(芳基氨基)芳基化合物具有抑制EML4-ALK融合蛋白和突变EGFR蛋白的激酶活性。这一发现导致了本发明的完成。本发明的化合物可用作预防和/或治疗癌症、肺癌、非小细胞肺癌、小细胞肺癌、EML4-ALK融合多核苷酸阳性和/或突变EGFR多核苷酸阳性癌症、EML4-ALK融合多核苷酸阳性和/或突变EGFR多核苷酸阳性肺癌或EML4-ALK融合多核苷酸阳性和/或突变EGFR多核苷酸阳性非小细胞肺癌等的制药组合物。