6-(3-(cyclopropylsulfonyl)phenyl)-3-(4-(methylsulfonyl)phenyl)imidazo[1,2-a]pyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-(3-(cyclopropylsulfonyl)phenyl)-3-(4-(methylsulfonyl)phenyl)imidazo[1,2-a]pyridine
• 英文别名: 6-(3-Cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine；6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
• 化学式: C₂₃H₂₀N₂O₄S₂
• 分子量: 452.555
• InChiKey: JHAUJDPMHVNFAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  102
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-溴-咪唑并[1,2-a]吡啶 在 bis-triphenylphosphine-palladium(II) chloride 、 N-溴代丁二酰亚胺(NBS) 、 potassium carbonate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 6-(3-(cyclopropylsulfonyl)phenyl)-3-(4-(methylsulfonyl)phenyl)imidazo[1,2-a]pyridine
  参考文献：
  名称：

  A Novel Pyrazolopyridine with in Vivo Activity in Plasmodium berghei- and Plasmodium falciparum-Infected Mouse Models from Structure–Activity Relationship Studies around the Core of Recently Identified Antimalarial Imidazopyridazines

  摘要：

  Toward improving pharmacokinetics, in vivo efficacy, and selectivity over hERG, structure activity relationship studies around the central core of antimalarial imidazo-pyridazines were conducted. This study led to the identification of potent pyrazolopyridines, which showed good in vivo efficacy and pharmacokinetics profiles. The lead compounds also proved to be very potent in the parasite liver and gametocyte stages, which makes them of high interest.

  DOI：

  10.1021/acs.jmedchem.5b01605

文献信息

• A Novel Pyrazolopyridine with in Vivo Activity in <i>Plasmodium berghei</i>- and <i>Plasmodium falciparum</i><i>-</i>Infected Mouse Models from Structure–Activity Relationship Studies around the Core of Recently Identified Antimalarial Imidazopyridazines
  作者：Claire Le Manach、Tanya Paquet、Christel Brunschwig、Mathew Njoroge、Ze Han、Diego Gonzàlez Cabrera、Sridevi Bashyam、Rajkumar Dhinakaran、Dale Taylor、Janette Reader、Mariette Botha、Alisje Churchyard、Sonja Lauterbach、Theresa L. Coetzer、Lyn-Marie Birkholtz、Stephan Meister、Elizabeth A. Winzeler、David Waterson、Michael J. Witty、Sergio Wittlin、María-Belén Jiménez-Díaz、María Santos Martínez、Santiago Ferrer、Iñigo Angulo-Barturen、Leslie J. Street、Kelly Chibale

  DOI：10.1021/acs.jmedchem.5b01605

  日期：2015.11.12

  Toward improving pharmacokinetics, in vivo efficacy, and selectivity over hERG, structure activity relationship studies around the central core of antimalarial imidazo-pyridazines were conducted. This study led to the identification of potent pyrazolopyridines, which showed good in vivo efficacy and pharmacokinetics profiles. The lead compounds also proved to be very potent in the parasite liver and gametocyte stages, which makes them of high interest.