ethyl 2-(4-((7-chloroquinolin-4-yl)amino)butylamino)-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate | 1448992-21-9

• 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: ethyl 2-(4-((7-chloroquinolin-4-yl)amino)butylamino)-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate
• 英文别名: Ethyl 2-[4-[(7-chloro-4-quinolyl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate；ethyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate
• CAS: 1448992-21-9
• 化学式: C₂₇H₂₇ClN₆O₄
• 分子量: 535.002
• InChiKey: JVOMNKYMODNGMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3,4-dihydro-5-ethoxycarbonyl-4-(2-nitrophenyl)-6-methylpyrimidine-2(1H)-one 在 硝酸 、 potassium carbonate 、 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 25.25h， 生成 ethyl 2-(4-((7-chloroquinolin-4-yl)amino)butylamino)-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate
  参考文献：
  名称：

  Synthesis of 4-aminoquinoline–pyrimidine hybrids as potent antimalarials and their mode of action studies

  摘要：

  One of the most viable options to tackle the growing resistance to the antimalarial drugs such as artemisinin is to resort to synthetic drugs. The multi-target strategy involving the use of hybrid drugs has shown promise. In line with this, new hybrids of quinoline with pyrimidine have been synthesized and evaluated for their antiplasmodial activity against both CQ(S) and CQ(R) strains of Plasmodium falciparum. These depicted activity in nanomolar range and were found to bind to heme as well as AT rich pUC18 DNA. (C) 2013 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.05.046

文献信息

• Synthesis of 4-aminoquinoline–pyrimidine hybrids as potent antimalarials and their mode of action studies
  作者：Kamaljit Singh、Hardeep Kaur、Kelly Chibale、Jan Balzarini

  DOI：10.1016/j.ejmech.2013.05.046

  日期：2013.8

  One of the most viable options to tackle the growing resistance to the antimalarial drugs such as artemisinin is to resort to synthetic drugs. The multi-target strategy involving the use of hybrid drugs has shown promise. In line with this, new hybrids of quinoline with pyrimidine have been synthesized and evaluated for their antiplasmodial activity against both CQ(S) and CQ(R) strains of Plasmodium falciparum. These depicted activity in nanomolar range and were found to bind to heme as well as AT rich pUC18 DNA. (C) 2013 Elsevier Masson SAS. All rights reserved.