N,N-dimethyl-2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[3,2-b]pyrazin-6-yl)piperazin-1-yl)ethanamine | 1049619-70-6

• 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: N,N-dimethyl-2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[3,2-b]pyrazin-6-yl)piperazin-1-yl)ethanamine
• 英文别名: N,N-dimethyl-2-[4-[2-phenyl-3-[4-[[4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanamine
• CAS: 1049619-70-6
• 化学式: C₃₉H₄₄N₁₂
• 分子量: 680.859
• InChiKey: RYXOAESHQJGFTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  51
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-(2-二甲基氨基乙基)哌嗪 、 6-氯-2,3-二氨基吡啶 、 1,2-乙烷二酮,1-[4-(溴甲基)苯基]-2-苯基 、 2-(3-piperidin-4-yl-1H-1,2,4-triazol-5-yl)pyrimidine hydrochloride 在 溶剂黄146 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 1,4-二氧六环 为溶剂， 生成 N,N-dimethyl-2-(4-(2-phenyl-3-(4-((4-(5-(pyrimidin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[3,2-b]pyrazin-6-yl)piperazin-1-yl)ethanamine 、
  参考文献：
  名称：

  The design and synthesis of potent and cell-active allosteric dual Akt 1 and 2 inhibitors devoid of hERG activity

  摘要：

  This letter details the attenuation of hERG in a class of Akt inhibitors through heteroatom insertions into aromatic rings. The development of a cell-active dual Akt 1 and 2 inhibitors devoid of hERG activity is discussed using structure-activity relationships. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.084

文献信息

• The design and synthesis of potent and cell-active allosteric dual Akt 1 and 2 inhibitors devoid of hERG activity
  作者：Tony Siu、Yiwei Li、Johnny Nagasawa、Jun Liang、Lida Tehrani、Peter Chua、Raymond E. Jones、Deborah Defeo-Jones、Stanley F. Barnett、Ronald G. Robinson

  DOI：10.1016/j.bmcl.2008.05.084

  日期：2008.7

  This letter details the attenuation of hERG in a class of Akt inhibitors through heteroatom insertions into aromatic rings. The development of a cell-active dual Akt 1 and 2 inhibitors devoid of hERG activity is discussed using structure-activity relationships. (C) 2008 Elsevier Ltd. All rights reserved.