N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-6-(prop-2-ynyloxy)-1,3,5-triazine-2,4-diamine | 1335447-92-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-6-(prop-2-ynyloxy)-1,3,5-triazine-2,4-diamine
• CAS: 1335447-92-1
• 化学式: C₁₆H₁₉N₅O
• 分子量: 297.36
• InChiKey: KXGVXCCBTBEWTG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.31
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  63.17
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-[(7-chloroquinolin-4-yl)amino]azidopropane 、 N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-6-(prop-2-ynyloxy)-1,3,5-triazine-2,4-diamine 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 3.0h， 以49%的产率得到6-((1-(3-(7-chloroquinolin-4-ylamino)propyl)-1H-1,2,3-triazol-4-yl)methoxy)-N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis of 4-aminoquinoline-1,2,3-triazole and 4-aminoquinoline-1,2,3-triazole-1,3,5-triazine Hybrids as Potential Antimalarial Agents

  摘要：

  We report herein synthesis of a series of 4‐aminoquinoline‐1,2,3‐triazole and 4‐aminoquinoline‐1,2,3‐triazole‐1,3,5‐triazine hybrids and evaluate their antimalarial activity against D6 and W2 strains of Plasmodium falciparum. To study the structure–activity relationship of substituted 4‐aminoquinoline–based hybrids, 34 structurally diverse compounds were synthesized and tested against D6 and W2 strains of P. falciparum. Some of the compounds have shown promising antimalarial activity without toxicity against Vero cells.

  DOI：

  10.1111/j.1747-0285.2011.01115.x
• 作为产物：
  描述：

  (4,6-dichloro-[1,3,5]triazin-2-yl)-(2,6-dimethylphenyl)amine 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 N2-(2,6-dimethylphenyl)-N4,N4-dimethyl-6-(prop-2-ynyloxy)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis of 4-aminoquinoline-1,2,3-triazole and 4-aminoquinoline-1,2,3-triazole-1,3,5-triazine Hybrids as Potential Antimalarial Agents

  摘要：

  We report herein synthesis of a series of 4‐aminoquinoline‐1,2,3‐triazole and 4‐aminoquinoline‐1,2,3‐triazole‐1,3,5‐triazine hybrids and evaluate their antimalarial activity against D6 and W2 strains of Plasmodium falciparum. To study the structure–activity relationship of substituted 4‐aminoquinoline–based hybrids, 34 structurally diverse compounds were synthesized and tested against D6 and W2 strains of P. falciparum. Some of the compounds have shown promising antimalarial activity without toxicity against Vero cells.

  DOI：

  10.1111/j.1747-0285.2011.01115.x