KA-Q-NH2 | 1193955-80-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: KA-Q-NH2
• CAS: 1193955-80-4
• 化学式: C₁₂H₁₅N₃O₇
• 分子量: 313.267
• InChiKey: QBFJWDYBZVMEAK-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.31
• 重原子数：
  22.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  174.95
• 氢给体数：
  4.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  、 kojic acid-7-imidazolide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 KA-Q-NH2
  参考文献：
  名称：

  Kojic acid–amino acid conjugates as tyrosinase inhibitors

  摘要：

  Kojic acid (KA), a well known tyrosinase inhibitor, has insufficient inhibitory activity and stability. We modified KA with amino acids and screened their tyrosinase inhibitory activity. Among them, kojic acid-phenylalanine amide (KA-F-NH2) showed the strongest inhibitory activity, which was maintained for over 3 months at 50 degrees C, and acted as a noncompetitive inhibitor as determined by kinetic analysis. It also exhibited dopachrome reducing activity. We also propose a new tyrosinase inhibition mechanism based on the docking simulation data. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.041