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4-(((1-methyl-4,5-diphenyl-1H-imidazol-2-yl)sulfonyl)methyl)pyridine | 1443114-28-0

中文名称
——
中文别名
——
英文名称
4-(((1-methyl-4,5-diphenyl-1H-imidazol-2-yl)sulfonyl)methyl)pyridine
英文别名
4-[(1-Methyl-4,5-diphenylimidazol-2-yl)sulfonylmethyl]pyridine
4-(((1-methyl-4,5-diphenyl-1H-imidazol-2-yl)sulfonyl)methyl)pyridine化学式
CAS
1443114-28-0
化学式
C22H19N3O2S
mdl
——
分子量
389.478
InChiKey
GEXXQZCDTIWEMM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.3
  • 重原子数:
    28
  • 可旋转键数:
    5
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.09
  • 拓扑面积:
    73.2
  • 氢给体数:
    0
  • 氢受体数:
    4

反应信息

  • 作为产物:
    描述:
    4-(((4,5-diphenyl-1H-imidazol-2-yl)sulfonyl)methyl)pyridine碘甲烷caesium carbonate 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 以25%的产率得到4-(((1-methyl-4,5-diphenyl-1H-imidazol-2-yl)sulfonyl)methyl)pyridine
    参考文献:
    名称:
    Synthesis and Metabolic Studies of Host-Directed Inhibitors for Antiviral Therapy
    摘要:
    Targeting host cell factors required for virus replication provides an alternative to targeting pathogen components and represents a promising approach to develop broad-spectrum antiviral therapeutics. High-throughput screening (HTS) identified two classes of inhibitors (2 and 3) with broad-spectrum antiviral activity against ortho- and paramyxoviruses including influenza A virus (IAV), measles virus (MeV), respiratory syncytial virus (RSV), and human parainfluenza virus type 3 (HPIV3). Hit-to-lead optimization delivered inhibitor 28a, with EC50 values of 0.88 and 0.81 mu M against IAV strain WSN and MeV strain Edmonston, respectively. It was also found that compound 28a delivers good stability in human liver S9 fractions with a half-life of 165 min. These data establish 28a as a promising lead for antiviral therapy through a host-directed mechanism.
    DOI:
    10.1021/ml400166b
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