1-[3-(4-{1-[2-(7-chloroquinolin-4-ylamino)ethyl]-1H-[1-3]triazol-4-ylmethoxy}phenyl)-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazol-1-yl]ethanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-[3-(4-{1-[2-(7-chloroquinolin-4-ylamino)ethyl]-1H-[1-3]triazol-4-ylmethoxy}phenyl)-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazol-1-yl]ethanone
• 英文别名: 1-[5-[4-[[1-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methoxy]phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone；1-[5-[4-[[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methoxy]phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
• 化学式: C₃₄H₃₄ClN₇O₅
• 分子量: 656.141
• InChiKey: ARHKPWIEHMMYGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-[4-(2-丙炔基氧基)苯基]-1-乙酮 在 copper(ll) sulfate pentahydrate 、 hydrazine hydrate 、 sodium ascorbate 、 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 1-[3-(4-{1-[2-(7-chloroquinolin-4-ylamino)ethyl]-1H-[1-3]triazol-4-ylmethoxy}phenyl)-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazol-1-yl]ethanone
  参考文献：
  名称：

  4-Aminoquinoline-chalcone/- N -acetylpyrazoline conjugates: Synthesis and antiplasmodial evaluation

  摘要：

  1H-1,2,3-triazole linked 4-aminoquinoline-chalcone/-N-acetylpyrazoline conjugates were synthesized and evaluated against cultured chloroquine (CQ) resistant strain. Antiplasmodial activities of the synthesized conjugates revealed dependence of activity on the length of the alkyl chain as well as on the presence of methoxy substituents on ring A/ring B of the chalcone. The most potent and non-cytotoxic conjugate showed comparable antiplasmodial activity with that of CQ with an IC50 value of 53.7 nM. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.07.041

文献信息

• 4-Aminoquinoline-chalcone/- N -acetylpyrazoline conjugates: Synthesis and antiplasmodial evaluation
  作者：Sumit Kumar、Anu Saini、Jiri Gut、Philip J. Rosenthal、Raghu Raj、Vipan Kumar

  DOI：10.1016/j.ejmech.2017.07.041

  日期：2017.9

  1H-1,2,3-triazole linked 4-aminoquinoline-chalcone/-N-acetylpyrazoline conjugates were synthesized and evaluated against cultured chloroquine (CQ) resistant strain. Antiplasmodial activities of the synthesized conjugates revealed dependence of activity on the length of the alkyl chain as well as on the presence of methoxy substituents on ring A/ring B of the chalcone. The most potent and non-cytotoxic conjugate showed comparable antiplasmodial activity with that of CQ with an IC50 value of 53.7 nM. (C) 2017 Elsevier Masson SAS. All rights reserved.