5-phenyl-6-(4-((4-(5-(pyridin-2-yl)-1H-pyrazol-3-yl)piperidin-1-yl)methyl)phenyl)nicotinonitrile | 1025467-61-1

• 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: 5-phenyl-6-(4-((4-(5-(pyridin-2-yl)-1H-pyrazol-3-yl)piperidin-1-yl)methyl)phenyl)nicotinonitrile
• CAS: 1025467-61-1
• 化学式: C₃₂H₂₈N₆
• 分子量: 496.615
• InChiKey: BWNLBPWHQZYPBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  81.49
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-phenyl-6-(4-((4-(5-(pyridin-2-yl)-1H-pyrazol-3-yl)piperidin-1-yl)methyl)phenyl)nicotinonitrile 、 氨基硫脲 在 三氟乙酸 作用下， 反应 16.0h， 以79%的产率得到5-{5-phenyl-6-[4-({4-[5-(pyridin-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}methyl)phenyl]pyridin-3-yl}-1,3,4-thiadiazol-2-amine
  参考文献：
  名称：

  Optimization of 2,3,5-trisubstituted pyridine derivatives as potent allosteric Akt1 and Akt2 inhibitors

  摘要：

  This letter shows inhibitor SAR on a pyridine series of allosteric Akt inhibitors to optimize enzymatic and cellular potency. We have optimized 2,3,5-trisubstituted pyridines to give potent Akt1 and Akt2 inhibitors in both enzyme and cell based assays. In addition, we will also highlight the pharmacokinetic pro. le of an optimized inhibitor that has low clearance and long half-life in dogs. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.040
• 作为产物：
  描述：

  2-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine 、 6-[4-(Bromomethyl)phenyl]-5-phenylnicotinonitrile 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 以57%的产率得到5-phenyl-6-(4-((4-(5-(pyridin-2-yl)-1H-pyrazol-3-yl)piperidin-1-yl)methyl)phenyl)nicotinonitrile
  参考文献：
  名称：

  Optimization of 2,3,5-trisubstituted pyridine derivatives as potent allosteric Akt1 and Akt2 inhibitors

  摘要：

  This letter shows inhibitor SAR on a pyridine series of allosteric Akt inhibitors to optimize enzymatic and cellular potency. We have optimized 2,3,5-trisubstituted pyridines to give potent Akt1 and Akt2 inhibitors in both enzyme and cell based assays. In addition, we will also highlight the pharmacokinetic pro. le of an optimized inhibitor that has low clearance and long half-life in dogs. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.040