isopropyl 2-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-6-methyl-4-(3-nitrophenyl)pyrimidin-5-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: isopropyl 2-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-6-methyl-4-(3-nitrophenyl)pyrimidin-5-carboxylate
• 英文别名: Propan-2-yl 2-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate；propan-2-yl 2-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylate
• 化学式: C₃₀H₃₄N₆O₅
• 分子量: 558.637
• InChiKey: UVJLVJPRMCOGMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  41
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  144
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  Isopropyl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 在 硝酸 、 三乙胺 、 三氯氧磷 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.75h， 生成 isopropyl 2-(4-(6-methoxyquinolin-8-ylamino)pentylamino)-6-methyl-4-(3-nitrophenyl)pyrimidin-5-carboxylate
  参考文献：
  名称：

  Primaquine–pyrimidine hybrids: Synthesis and dual-stage antiplasmodial activity

  摘要：

  A series of novel pyrimidine primaquine hybrids were synthesized and their effectiveness against the blood and liver stages of malaria parasites was evaluated. The hybrids displayed enhanced liver stage in vitro activity against P. berghei liver stage infection. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.06.045

文献信息

• Primaquine–pyrimidine hybrids: Synthesis and dual-stage antiplasmodial activity
  作者：Hardeep Kaur、Marta Machado、Carmen de Kock、Peter Smith、Kelly Chibale、Miguel Prudêncio、Kamaljit Singh

  DOI：10.1016/j.ejmech.2015.06.045

  日期：2015.8

  A series of novel pyrimidine primaquine hybrids were synthesized and their effectiveness against the blood and liver stages of malaria parasites was evaluated. The hybrids displayed enhanced liver stage in vitro activity against P. berghei liver stage infection. (C) 2015 Elsevier Masson SAS. All rights reserved.