4'-fluorobiphenyl-2-carboxylic acid (2-aminophenyl)amide | 897446-33-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-fluorobiphenyl-2-carboxylic acid (2-aminophenyl)amide
• CAS: 897446-33-2
• 化学式: C₁₉H₁₅FN₂O
• 分子量: 306.339
• InChiKey: ZVFUKYXWEFSGJL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.33
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.12
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4'-fluorobiphenyl-2-carboxylic acid (2-aminophenyl)amide 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 、 水 为溶剂， 反应 8.0h， 生成 2-(4′-fluoro-[1,1′-biphenyl]-2-yl)-1H-benzo[d]imidazole
  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
• 作为产物：
  描述：

  4-氟苯硼酸 在 palladium diacetate potassium fluoride 、 sodium hydroxide 、 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 2-(二叔丁基膦)联苯 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 42.0h， 生成 4'-fluorobiphenyl-2-carboxylic acid (2-aminophenyl)amide
  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