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4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N-methylaniline | 1437281-22-5

中文名称
——
中文别名
——
英文名称
4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N-methylaniline
英文别名
4-[7-(2-fluoroethoxy)quinoxalin-2-yl]-N-methylaniline
4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N-methylaniline化学式
CAS
1437281-22-5
化学式
C17H16FN3O
mdl
——
分子量
297.332
InChiKey
KGCNFPYXRLZPMV-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):
    3.2
  • 重原子数:
    22
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    47
  • 氢给体数:
    1
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为产物:
    描述:
    4-(7-(2-fluoroethoxy)quinoxalin-2-yl)aniline 在 sodium tetrahydroborate 、 sodium methylate 作用下, 以 甲醇 为溶剂, 反应 4.5h, 生成 4-(7-(2-fluoroethoxy)quinoxalin-2-yl)-N-methylaniline
    参考文献:
    名称:
    Structure–Activity Relationships and in Vivo Evaluation of Quinoxaline Derivatives for PET Imaging of β-Amyloid Plaques
    摘要:
    This letter describes the synthesis, structure-activity relationships, and in vivo evaluation of a new series of 2-phenylquinoxaline (PQ) derivatives for imaging beta-amyloid (A beta) plaques in Alzheimer's disease (AD). In experiments in vitro, the affinity of the derivatives for A beta aggregates varied, with K-i values of 0.895 to 1180 nM. In brain sections from AD patients, derivatives with a K-i of less than 111 nM intensely labeled A beta plaques, while those with values over 242 nM showed no marked labeling. In biodistribution experiments using normal mice, the derivatives showed good uptake into (4-69-7.59 %ID/g at 2 or 10 min postinjection) and subsequent washout from (1.48-3.08 %ID/g at 60 mm postinjection) the brain. In addition, [F-18]PQ-6 labeled A beta plaques in vivo in APP transgenic mice, while it showed nonspecific binding in the white matter. Further structural optimization based on [F-18]PQ-6 may lead to more useful PET probes for imaging A beta plaques.
    DOI:
    10.1021/ml4000707
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文献信息

  • RADIOACTIVE FLUORINE-LABELED QUINOXALINE COMPOUND
    申请人:Nihon Medi-Physics Co., Ltd.
    公开号:US20140088306A1
    公开(公告)日:2014-03-27
    Provided is a compound effective as a diagnostic imaging probe targeting amyloid and an agent for Alzheimer's disease diagnosis including the compound.
    提供了一种作为靶向淀粉样蛋白的诊断成像探针的复合物,以及包括该复合物的阿尔茨海默病诊断药剂。
  • 与Tau蛋白具有亲和力的2-芳基喹喔啉类化 合物及其制备方法与应用
    申请人:北京师范大学
    公开号:CN108047145B
    公开(公告)日:2020-12-15
    本发明提供一种与Tau蛋白具有亲和力的2‑芳基喹喔啉类化合物,其结构如式(I)所示:本发明还提供了式(I)化合物的制备方法。该类化合物可直接作为检测体内或组织样本中神经纤维缠结的荧光探针,当用于核医学显像时,需使用合适的放射性同位素对其进行标记。该类化合物尤其用于诊断包括阿尔茨海默病在内的具有神经纤维缠结(Tau蛋白沉积)特征的患者。
  • Radioactive fluorine-labeled quinoxaline compound
    申请人:Kyoto University
    公开号:EP2711026A1
    公开(公告)日:2014-03-26
    Provided is a compound effective as a diagnostic imaging probe targeting amyloid and an agent for Alzheimer's disease diagnosis including the compound.
    本发明提供了一种可作为针对淀粉样蛋白的诊断成像探针的化合物,以及一种包括该化合物的阿尔茨海默病诊断剂。
  • Structure–Activity Relationships and in Vivo Evaluation of Quinoxaline Derivatives for PET Imaging of β-Amyloid Plaques
    作者:Masashi Yoshimura、Masahiro Ono、Kenji Matsumura、Hiroyuki Watanabe、Hiroyuki Kimura、Mengchao Cui、Yuji Nakamoto、Kaori Togashi、Yoko Okamoto、Masafumi Ihara、Ryosuke Takahashi、Hideo Saji
    DOI:10.1021/ml4000707
    日期:2013.7.11
    This letter describes the synthesis, structure-activity relationships, and in vivo evaluation of a new series of 2-phenylquinoxaline (PQ) derivatives for imaging beta-amyloid (A beta) plaques in Alzheimer's disease (AD). In experiments in vitro, the affinity of the derivatives for A beta aggregates varied, with K-i values of 0.895 to 1180 nM. In brain sections from AD patients, derivatives with a K-i of less than 111 nM intensely labeled A beta plaques, while those with values over 242 nM showed no marked labeling. In biodistribution experiments using normal mice, the derivatives showed good uptake into (4-69-7.59 %ID/g at 2 or 10 min postinjection) and subsequent washout from (1.48-3.08 %ID/g at 60 mm postinjection) the brain. In addition, [F-18]PQ-6 labeled A beta plaques in vivo in APP transgenic mice, while it showed nonspecific binding in the white matter. Further structural optimization based on [F-18]PQ-6 may lead to more useful PET probes for imaging A beta plaques.
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