methyl 7-(4-(1-(tert-butoxycarbonylamino)cyclobutyl)phenyl)-6-phenylpyrazolo[1,5-a]pyridine-3-carboxylate | 1357159-21-7

• 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: methyl 7-(4-(1-(tert-butoxycarbonylamino)cyclobutyl)phenyl)-6-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
• CAS: 1357159-21-7
• 化学式: C₃₀H₃₁N₃O₄
• 分子量: 497.594
• InChiKey: CJQMOBOFMNVLHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.36
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  81.93
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  methyl 7-(4-(1-(tert-butoxycarbonylamino)cyclobutyl)phenyl)-6-phenylpyrazolo[1,5-a]pyridine-3-carboxylate 在 氢溴酸 作用下， 以 水 为溶剂， 反应 12.0h， 以79%的产率得到1-(4-(6-phenylpyrazolo[1,5-a]pyridin-7-yl)phenyl)cyclobutanamine
  参考文献：
  名称：

  Diverse Heterocyclic Scaffolds as Allosteric Inhibitors of AKT

  摘要：

  Wide-ranging exploration of potential replacements for a quinoline-based inhibitor of activation of AKT kinase led to number of alternative, novel scaffolds with potentially improved potency and physicochemical properties. Examples showed predictable DMPK properties, and one such compound demonstrated pharmacodynamic knockdown of phosphorylation of AKT and downstream biomarkers in vivo and inhibition of tumor growth in a breast cancer xenograft model.

  DOI：

  10.1021/jm201394e
• 作为产物：
  描述：

  2-氯-3-苯基吡啶 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 、 potassium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 13.0h， 生成 methyl 7-(4-(1-(tert-butoxycarbonylamino)cyclobutyl)phenyl)-6-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
  参考文献：
  名称：

  Diverse Heterocyclic Scaffolds as Allosteric Inhibitors of AKT

  摘要：

  Wide-ranging exploration of potential replacements for a quinoline-based inhibitor of activation of AKT kinase led to number of alternative, novel scaffolds with potentially improved potency and physicochemical properties. Examples showed predictable DMPK properties, and one such compound demonstrated pharmacodynamic knockdown of phosphorylation of AKT and downstream biomarkers in vivo and inhibition of tumor growth in a breast cancer xenograft model.

  DOI：

  10.1021/jm201394e