3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine | 1208307-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
• 英文别名: 3-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-6-(2-methylfuran-3-yl)-5-(3-methyl-2H-indazol-5-yl)pyridin-2-amine
• CAS: 1208307-46-3
• 化学式: C₂₉H₂₈N₆O₂
• 分子量: 492.58
• InChiKey: NNIFDNQGXRCFDV-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  132
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,1-dimethylethyl [(1S)-2-{[2-amino-6-(2-methyl-3-furanyl)-5-(3-methyl-1H-indazol-5-yl)-3-pyridinyl]oxy}-1-(1H-indol-3-ylmethyl)ethyl]carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
  参考文献：
  名称：

  Tetrasubstituted pyridines as potent and selective AKT inhibitors: Reduced CYP450 and hERG inhibition of aminopyridines

  摘要：

  The synthesis and evaluation of tetrasubstituted aminopyridines, bearing novel azaindazole hinge binders, as potent AKT inhibitors are described. Compound 14c was identified as a potent AKT inhibitor that demonstrated reduced CYP450 inhibition and an improved developability profile compared to those of previously described trisubstituted pyridines. It also displayed dose-dependent inhibition of both phosphorylation of GSK3b and tumor growth in a BT474 tumor xenograft model in mice. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.061