2-(phenyl-piperidin-1-yl-methyl)-1H-benzoimidazole | 31490-22-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(phenyl-piperidin-1-yl-methyl)-1H-benzoimidazole
• 英文别名: 2-[phenyl(piperidin-1-yl)methyl]-1H-benzimidazole
• CAS: 31490-22-9
• 化学式: C₁₉H₂₁N₃
• 分子量: 291.396
• InChiKey: NWMYXVQFAKEWON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  31.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-苯基-2-(哌啶-1-基)乙酸 在 溶剂黄146 、 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 生成 2-(phenyl-piperidin-1-yl-methyl)-1H-benzoimidazole
  参考文献：
  名称：

  Synthesis and biological evaluation of benzimidazole derivatives as potent AMP-activated protein kinase activators

  摘要：

  Design, synthesis and structure-activity relationships of beU:/AP/DTD501/BMC/4818nzimidazole derivatives as activators of the AMP-activated protein kinase (AMPK) are presented in this paper. AMPK is the central component of a protein kinase cascade that plays a key role in the regulation of energy balance. Once activated, AMPK initiates a series of responses that are aimed at restoring the energy balance of the cell and recent studies have indicated that AMPK plays an important role in regulation of the whole-body energy metabolism. The following study based on the lead compound S27847 involved modification of three regions of this compound. Preliminary structure activity relationships are being described. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.02.028

文献信息

• Synthesis and biological evaluation of benzimidazole derivatives as potent AMP-activated protein kinase activators
  作者：Julie Charton、Sophie Girault-Mizzi、Marie-Ange Debreu-Fontaine、Fabienne Foufelle、Isabelle Hainault、Jean-Guy Bizot-Espiard、Daniel-Henri Caignard、Christian Sergheraert

  DOI：10.1016/j.bmc.2006.02.028

  日期：2006.7

  Design, synthesis and structure-activity relationships of beU:/AP/DTD501/BMC/4818nzimidazole derivatives as activators of the AMP-activated protein kinase (AMPK) are presented in this paper. AMPK is the central component of a protein kinase cascade that plays a key role in the regulation of energy balance. Once activated, AMPK initiates a series of responses that are aimed at restoring the energy balance of the cell and recent studies have indicated that AMPK plays an important role in regulation of the whole-body energy metabolism. The following study based on the lead compound S27847 involved modification of three regions of this compound. Preliminary structure activity relationships are being described. (c) 2006 Elsevier Ltd. All rights reserved.