1-(4-(7-amino-3-bromopyrazolo[1,5-α]pyrimidin-6-yl)phenyl)-3-m-tolylurea | 1039364-85-6

• 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: 1-(4-(7-amino-3-bromopyrazolo[1,5-α]pyrimidin-6-yl)phenyl)-3-m-tolylurea
• 英文别名: 1-(4-(7-Amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl)-3-m-tolylurea；1-[4-(7-amino-3-bromopyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-3-(3-methylphenyl)urea
• CAS: 1039364-85-6
• 化学式: C₂₀H₁₇BrN₆O
• 分子量: 437.299
• InChiKey: GXRCQVMXTRWVSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  97.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-(4-aminophenyl)-3-bromopyrazolo[1,5-α]pyrimidin-7-amine 、 异氰酸间甲苯酯 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到1-(4-(7-amino-3-bromopyrazolo[1,5-α]pyrimidin-6-yl)phenyl)-3-m-tolylurea
  参考文献：
  名称：

  7-Aminopyrazolo[1,5-a]pyrimidines as Potent Multitargeted Receptor Tyrosine Kinase Inhibitors

  摘要：

  7-Aminopyrazolo[1,5-a]pyrimidine urea receptor tyrosine kinase inhibitors have been discovered. Investigation of structure-activity relationships of the pyrazolo[1,5-a]pyrimidine nucleus led to a series of 6-(4-N,N'-diphenyl)ureas that potently inhibited a panel of vascular endothelial growth factor receptor (VEGFR) and platelet-derived growth factor receptor (PDGFR) kinases. Several of these compounds, such as 34a, are potent inhibitors of kinase insert domain-containing receptor tyrosine kinase (KDR) both enzymatically (< 10 nM) and cellularly (< 10 nM). In addition, compound 34a possesses a favorable pharmacokinetic profile and demonstrates efficacy in the estradiol-induced murine uterine edema (UE) model (ED(50) = 1.4 mg/kg).

  DOI：

  10.1021/jm701397k