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2-fluoro-3-(oxazolo[4,5-b]pyridin-2-yl)aniline | 1448807-15-5

中文名称
——
中文别名
——
英文名称
2-fluoro-3-(oxazolo[4,5-b]pyridin-2-yl)aniline
英文别名
2-Fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;2-fluoro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
2-fluoro-3-(oxazolo[4,5-b]pyridin-2-yl)aniline化学式
CAS
1448807-15-5
化学式
C12H8FN3O
mdl
——
分子量
229.213
InChiKey
ZNMOMSLPKKJBPJ-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):
    2.1
  • 重原子数:
    17
  • 可旋转键数:
    1
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    64.9
  • 氢给体数:
    1
  • 氢受体数:
    5

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:
    糠酸(呋喃甲酸)2-fluoro-3-(oxazolo[4,5-b]pyridin-2-yl)aniline4-二甲氨基吡啶盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下, 以 二氯甲烷 为溶剂, 以44%的产率得到N-(2-fluoro-3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)furan-2-carboxamide
    参考文献:
    名称:
    3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis
    摘要:
    A whole organism high-throughput screen of approximately 87,000 compounds against Trypanosoma brucei brucei led to the recent discovery of several novel compound classes with low micromolar activity against this organism and without appreciable cytotoxicity to mammalian cells. Herein we report a structure activity relationship (SAR) investigation around one of these hit classes, the 3-(oxazolo[4,5-b] pyridin-2-yl)anilides. Sharp SAR is revealed, with our most active compound (5) exhibiting an IC50 of 91 nM against the human pathogenic strain T.b. rhodesiense and being more than 700 times less toxic towards the L6 mammalian cell line. Physicochemical properties are attractive for many compounds in this series. For the most potent representatives, we show that solubility and metabolic stability are key parameters to target during future optimisation.[GRAPHICS](C) 2013 Published by Elsevier Masson SAS.
    DOI:
    10.1016/j.ejmech.2013.05.007
  • 作为产物:
    描述:
    2-氟-3-硝基苯甲酸 在 palladium 10% on activated carbon 作用下, 以 乙醇乙酸乙酯 为溶剂, 反应 4.0h, 生成 2-fluoro-3-(oxazolo[4,5-b]pyridin-2-yl)aniline
    参考文献:
    名称:
    3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis
    摘要:
    A whole organism high-throughput screen of approximately 87,000 compounds against Trypanosoma brucei brucei led to the recent discovery of several novel compound classes with low micromolar activity against this organism and without appreciable cytotoxicity to mammalian cells. Herein we report a structure activity relationship (SAR) investigation around one of these hit classes, the 3-(oxazolo[4,5-b] pyridin-2-yl)anilides. Sharp SAR is revealed, with our most active compound (5) exhibiting an IC50 of 91 nM against the human pathogenic strain T.b. rhodesiense and being more than 700 times less toxic towards the L6 mammalian cell line. Physicochemical properties are attractive for many compounds in this series. For the most potent representatives, we show that solubility and metabolic stability are key parameters to target during future optimisation.[GRAPHICS](C) 2013 Published by Elsevier Masson SAS.
    DOI:
    10.1016/j.ejmech.2013.05.007
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文献信息

  • 3-(Oxazolo[4,5-b]pyridin-2-yl)anilides as a novel class of potent inhibitors for the kinetoplastid Trypanosoma brucei, the causative agent for human African trypanosomiasis
    作者:Lori Ferrins、Raphaël Rahmani、Melissa L. Sykes、Amy J. Jones、Vicky M. Avery、Eliott Teston、Basmah Almohaywi、JieXiang Yin、Jason Smith、Chris Hyland、Karen L. White、Eileen Ryan、Michael Campbell、Susan A. Charman、Marcel Kaiser、Jonathan B. Baell
    DOI:10.1016/j.ejmech.2013.05.007
    日期:2013.8
    A whole organism high-throughput screen of approximately 87,000 compounds against Trypanosoma brucei brucei led to the recent discovery of several novel compound classes with low micromolar activity against this organism and without appreciable cytotoxicity to mammalian cells. Herein we report a structure activity relationship (SAR) investigation around one of these hit classes, the 3-(oxazolo[4,5-b] pyridin-2-yl)anilides. Sharp SAR is revealed, with our most active compound (5) exhibiting an IC50 of 91 nM against the human pathogenic strain T.b. rhodesiense and being more than 700 times less toxic towards the L6 mammalian cell line. Physicochemical properties are attractive for many compounds in this series. For the most potent representatives, we show that solubility and metabolic stability are key parameters to target during future optimisation.[GRAPHICS](C) 2013 Published by Elsevier Masson SAS.
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