4'-acetylamino-6-aminobiphenyl-3-carboxylic acid (4-dibenzylaminophenyl)amide | 1032373-91-3

• 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'-acetylamino-6-aminobiphenyl-3-carboxylic acid (4-dibenzylaminophenyl)amide
• CAS: 1032373-91-3
• 化学式: C₃₅H₃₂N₄O₂
• 分子量: 540.665
• InChiKey: VPCDQFLCHPOPJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.35
• 重原子数：
  41.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  87.46
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4'-acetylamino-6-aminobiphenyl-3-carboxylic acid (4-dibenzylaminophenyl)amide 、 N-叔丁氧羰基-2-氨基乙醛 在 sodium cyanoborohydride 、 三氟乙酸 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 以41%的产率得到4'-acetylamino-6-(2-aminoethylamino)biphenyl-3-carboxylic acid (4-dibenzylaminophenyl)amide
  参考文献：
  名称：

  WO2008/70823

  摘要：

  公开号：
• 作为产物：
  描述：

  4-amino-3-bromo-N-(4-dibenzylaminophenyl)benzamide 、 4-乙酰胺基苯硼酸 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以78%的产率得到4'-acetylamino-6-aminobiphenyl-3-carboxylic acid (4-dibenzylaminophenyl)amide
  参考文献：
  名称：

  Non-peptidic substrate-mimetic inhibitors of Akt as potential anti-cancer agents

  摘要：

  Akt has emerged as a critical target for the development of anti-cancer therapies. It has been found to be amplified, overexpressed, or constitutively activated in numerous human malignancies with oncogenesis derived from the simultaneous promotion of cell survival and suppression of apoptosis. A valuable alternative to the more common ATP-mimetic based chemotherapies is a substrate-mimetic approach, which has the potential advantage of inherent specificity of the substrate-binding pocket. In this paper we present the development of high affinity non-peptidic, substrate-mimetic inhibitors based on the minimum GSK3 beta substrate sequence. Optimization of initial peptidic leads resulted in the development of several classes of small molecule inhibitors, which have comparable potency to the initial peptidomimetics, while eliminating the remaining amino acid residues. We have identified the first non-peptidic substrate-mimetic lead inhibitors of Akt 29a-b, which have affinities of 17 and 12 mu M, respectively. This strategy has potential to provide a useful set of molecular probes to assist in the validation of Akt as a potential target for anti-cancer drug design. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2008.09.058