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1-(4-ethoxy-phenyl)-1H-benzoimidazol-5-ylamine | 7104-62-3

中文名称
——
中文别名
——
英文名称
1-(4-ethoxy-phenyl)-1H-benzoimidazol-5-ylamine
英文别名
Benzimidazol-5-amine, 1-(4-ethoxyphenyl)-;1-(4-ethoxyphenyl)benzimidazol-5-amine
1-(4-ethoxy-phenyl)-1<i>H</i>-benzoimidazol-5-ylamine化学式
CAS
7104-62-3
化学式
C15H15N3O
mdl
——
分子量
253.304
InChiKey
DCVJVGBMIYAWNZ-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

物化性质

  • 熔点:
    130-131 °C
  • 沸点:
    475.8±51.0 °C(Predicted)
  • 密度:
    1.22±0.1 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    2.8
  • 重原子数:
    19
  • 可旋转键数:
    3
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.13
  • 拓扑面积:
    53.1
  • 氢给体数:
    1
  • 氢受体数:
    3

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    1-(4-ethoxy-phenyl)-1H-benzoimidazol-5-ylamine 、 alkaline earth salt of/the/ methylsulfuric acid 生成 N-[1-(4-ethoxy-phenyl)-1H-benzimidazol-5-yl]-N'-[7]quinolyl-urea
    参考文献:
    名称:
    DE583207
    摘要:
    公开号:
  • 作为产物:
    描述:
    对乙氧基苯胺盐酸 、 palladium on activated charcoal 、 氢气caesium carbonate 作用下, 以 四氢呋喃乙酸乙酯 为溶剂, 生成 1-(4-ethoxy-phenyl)-1H-benzoimidazol-5-ylamine
    参考文献:
    名称:
    Discovery and optimization of potent broad-spectrum arenavirus inhibitors derived from benzimidazole
    摘要:
    A chemically diverse library of about 400,000 small molecules was screened for antiviral activity against lentiviral pseudotypes with the Lassa virus envelope glycoprotein (LASV GP) gene incorporated. High-throughput screening resulted in discovery of a hit compound (ST-37) possessing a benzimidazole core which led to a potent compound series. Herein, we report SAR studies which involved structural modifications to the phenyl rings and methylamino linker portion attached to the benzimidazole core. Many analogs in this study possessed single digit nanomolar potency against LASV pseudotypes. Compounds in this benzimidazole series also exhibited nanomolar antiviral activity against pseudotypes generated from other arenavirus envelopes indicating the potential for development of a broad-spectrum inhibitor. Ultimately, lead compound ST-193 was identified and later found to be efficacious in a lethal LASV guinea pig model showing superior protection compared to ribavirin treatment. (c) 2012 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2012.11.095
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文献信息

  • ILAVSKY, D.;BOBOSIK, V.;MARTVON, A., CHEM. PAP., CSSR, 1985, 39, N 4, 527-536
    作者:ILAVSKY, D.、BOBOSIK, V.、MARTVON, A.
    DOI:——
    日期:——
  • Discovery and optimization of potent broad-spectrum arenavirus inhibitors derived from benzimidazole
    作者:Dongcheng Dai、James R. Burgeson、Dima N. Gharaibeh、Amy L. Moore、Ryan A. Larson、Natasha R. Cerruti、Sean M. Amberg、Tove’ C. Bolken、Dennis E. Hruby
    DOI:10.1016/j.bmcl.2012.11.095
    日期:2013.2
    A chemically diverse library of about 400,000 small molecules was screened for antiviral activity against lentiviral pseudotypes with the Lassa virus envelope glycoprotein (LASV GP) gene incorporated. High-throughput screening resulted in discovery of a hit compound (ST-37) possessing a benzimidazole core which led to a potent compound series. Herein, we report SAR studies which involved structural modifications to the phenyl rings and methylamino linker portion attached to the benzimidazole core. Many analogs in this study possessed single digit nanomolar potency against LASV pseudotypes. Compounds in this benzimidazole series also exhibited nanomolar antiviral activity against pseudotypes generated from other arenavirus envelopes indicating the potential for development of a broad-spectrum inhibitor. Ultimately, lead compound ST-193 was identified and later found to be efficacious in a lethal LASV guinea pig model showing superior protection compared to ribavirin treatment. (c) 2012 Elsevier Ltd. All rights reserved.
  • DE583207
    申请人:——
    公开号:——
    公开(公告)日:——
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