3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine | 1135347-70-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
• 英文别名: 3-(chloromethyl)-9-phenyl-8-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
• CAS: 1135347-70-4
• 化学式: C₃₅H₃₀ClN₉
• 分子量: 612.136
• InChiKey: LYZNFELLVFJDML-UHFFFAOYSA-N

物化性质

• 密度：
  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  45
• 可旋转键数：
  7
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-hydrazino-3-phenyl-2-(4-{[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}phenyl)-1,6-naphthyridine 、 2-氯-1,1,1-三乙氧基乙烷 以 N,N-二甲基甲酰胺 为溶剂， 以70%的产率得到3-(chloromethyl)-9-phenyl-8-(4-((4-(5-(pyridin-2-yl)-1H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
  参考文献：
  名称：

  Allosteric inhibitors of Akt1 and Akt2: Discovery of [1,2,4]triazolo[3,4-f][1,6]naphthyridines with potent and balanced activity

  摘要：

  A series of [1,2,4]triazolo[3,4-f][1,6] naphthyridine allosteric dual inhibitors of Akt1 and 2 have been developed. These compounds have been shown to have potent dual Akt1 and 2 cell potency. The representative compound 13 provided potent inhibitory activity against Akt1 and 2 in vivo in a mouse model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.017

文献信息

• Allosteric inhibitors of Akt1 and Akt2: Discovery of [1,2,4]triazolo[3,4-f][1,6]naphthyridines with potent and balanced activity
  作者：Yiwei Li、Jun Liang、Tony Siu、Essa Hu、Michael A. Rossi、Stanley F. Barnett、Deborah Defeo-Jones、Raymond E. Jones、Ronald G. Robinson、Karen Leander、Hans E. Huber、Sachin Mittal、Nicholas Cosford、Peppi Prasit

  DOI：10.1016/j.bmcl.2008.12.017

  日期：2009.2

  A series of [1,2,4]triazolo[3,4-f][1,6] naphthyridine allosteric dual inhibitors of Akt1 and 2 have been developed. These compounds have been shown to have potent dual Akt1 and 2 cell potency. The representative compound 13 provided potent inhibitory activity against Akt1 and 2 in vivo in a mouse model. (C) 2008 Elsevier Ltd. All rights reserved.