5-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline | 1186333-69-6

• 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: 5-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
• 英文别名: 5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
• CAS: 1186333-69-6
• 化学式: C₃₁H₂₉N₉
• 分子量: 527.632
• InChiKey: IHKFKVFBXJJHIA-UNMCSNQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 5-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline 在 三乙酰氧基硼氢化钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethyl-5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)aniline
  参考文献：
  名称：

  Indazolylpyrazolopyrimidine as Highly Potent B-Raf Inhibitors with in Vivo Activity

  摘要：

  Novel indazolylpyrazolo[1,5-a]pyrimidine analogues have been prepared and found to be extremely potent type I B-Raf inhibitors. The lead compound shows good selectivity against a panel of 60 kinases, possesses a desirable pharmacokinetic profile, and demonstrates excellent in vivo antitumor efficacy in B-Raf mutant xenograft models.

  DOI：

  10.1021/jm1007566
• 作为产物：
  描述：

  tert-butyl (1S,4S)-5-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-(dimethylamino)phenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate 在 盐酸 、 水 作用下， 生成 5-[(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl]-2-[3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylaniline
  参考文献：
  名称：

  Indazolylpyrazolopyrimidine as Highly Potent B-Raf Inhibitors with in Vivo Activity

  摘要：

  Novel indazolylpyrazolo[1,5-a]pyrimidine analogues have been prepared and found to be extremely potent type I B-Raf inhibitors. The lead compound shows good selectivity against a panel of 60 kinases, possesses a desirable pharmacokinetic profile, and demonstrates excellent in vivo antitumor efficacy in B-Raf mutant xenograft models.

  DOI：

  10.1021/jm1007566

文献信息

• Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof
  申请人：Levin Jeremy Ian

  公开号：US20100029657A1

  公开（公告）日：2010-02-04

  Compounds of formula A: and pharmaceutically acceptable salts thereof are described, which selectively inhibit Raf kinase activity and are useful for treating disorders mediated by Raf kinases.

  描述了化学式A的化合物及其药学上可接受的盐，这些化合物可选择性地抑制Raf激酶活性，并用于治疗由Raf激酶介导的疾病。