N-[(Z)-ethylideneamino]-6-methylpyrimidin-4-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-[(Z)-ethylideneamino]-6-methylpyrimidin-4-amine
• 化学式: C₇H₁₀N₄
• 分子量: 150.18
• InChiKey: JYPFJZKYIUAJJV-KMKOMSMNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION
  申请人：Shanghai Pharmaceuticals Holding Co., Ltd.

  公开号：EP3677583A1

  公开（公告）日：2020-07-08

  A nitrogenous heterocyclic compound, a preparation method, an intermediate, a composition, and an application. The present invention provides a nitrogenous heterocyclic compound as represented by formula I, pharmaceutically acceptable salts thereof, enantiomers thereof, diastereoisomers thereof, tautomers thereof, solvates thereof, metabolites thereof, or prodrugs thereof. The compound has high inhibitory activity against ErbB2 tyrosine kinase, has good inhibitory activity against human breast cancer cells BT-474, human gastric cancer cells NCI-N87 and the like with high expression of ErbB2, and in addition has relatively weak inhibitory activity against EGFR kinase, that is, the compound is an EGFR/ErbB2 double target inhibitor that attenuates EGFR kinase inhibitory activity or a small-molecule inhibitor having selectivity for an ErbB2 target. (I)

  一种含氮杂环化合物、一种制备方法、一种中间体、一种组合物及一种应用。本发明提供了一种由式 I 代表的含氮杂环化合物、其药学上可接受的盐、其对映体、其非对映异构体、其同系物、其溶剂、其代谢物或其原药。该化合物对ErbB2酪氨酸激酶具有较高的抑制活性，对ErbB2高表达的人乳腺癌细胞BT-474、人胃癌细胞NCI-N87等具有良好的抑制活性，此外对表皮生长因子受体（EGFR）激酶的抑制活性相对较弱，即该化合物是一种减弱表皮生长因子受体（EGFR）激酶抑制活性的EGFR/ErbB2双靶点抑制剂或对ErbB2靶点具有选择性的小分子抑制剂。(I)