4-[(6-amino-2-pyridinyl)amino]-2-dodecyl-4-oxobutanoic acid | 1282011-43-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-[(6-amino-2-pyridinyl)amino]-2-dodecyl-4-oxobutanoic acid
• 英文别名: 2-[2-[(6-Aminopyridin-2-yl)amino]-2-oxoethyl]tetradecanoic acid
• CAS: 1282011-43-1
• 化学式: C₂₁H₃₅N₃O₃
• 分子量: 377.527
• InChiKey: HSQREKBUOVQLHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  27
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,6-二氨基吡啶 、 N-十二烷基琥珀酸酐 以 四氢呋喃 为溶剂， 反应 18.0h， 以18%的产率得到4-[(6-amino-2-pyridinyl)amino]-2-dodecyl-4-oxobutanoic acid
  参考文献：
  名称：

  Synthesis and Biological Activities of Some N-Acyl-2,6-diaminopyridines and Related Linker Mode Identical Twin Drugs

  摘要：

  In connection with our studies on biologically active compounds in the class of N-acyl-2,6-diaminopyridines, some molecular modifications were attempted. All of the synthesized compounds were evaluated for biological activity with herpes virus type 1 (HSV-1) by a plaque reduction assay. We observed that most of the synthesized derivatives showed no significant anti-HSV-1 activity, but we found that compounds 5 and 6 with a branched long alkyl chain showed high cytotoxicity to Vero cells.

  DOI：

  10.3987/com-10-12105

文献信息

• Synthesis and Biological Activities of Some N-Acyl-2,6-diaminopyridines and Related Linker Mode Identical Twin Drugs
  作者：Kunihiro Sumoto、Nobuko Mibu、Kazumi Yokomizo、Miyuki Saisho、Marumi Oishi、Hatsumi Aki、Takeshi Miyata

  DOI：10.3987/com-10-12105

  日期：——

  In connection with our studies on biologically active compounds in the class of N-acyl-2,6-diaminopyridines, some molecular modifications were attempted. All of the synthesized compounds were evaluated for biological activity with herpes virus type 1 (HSV-1) by a plaque reduction assay. We observed that most of the synthesized derivatives showed no significant anti-HSV-1 activity, but we found that compounds 5 and 6 with a branched long alkyl chain showed high cytotoxicity to Vero cells.