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(S)-[1-(3-morpholin-4-yl-phenyl)ethyl]-carbamic acid tert-butyl ester | 477312-35-9

中文名称
——
中文别名
——
英文名称
(S)-[1-(3-morpholin-4-yl-phenyl)ethyl]-carbamic acid tert-butyl ester
英文别名
tert-butyl (S)-(1-(3-morpholinophenyl)ethyl)carbamate;1,1-dimethylethyl {(1S)-1-[3-(4-morpholinyl)phenyl]ethyl}carbamate;tert-butyl N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]carbamate
(S)-[1-(3-morpholin-4-yl-phenyl)ethyl]-carbamic acid tert-butyl ester化学式
CAS
477312-35-9
化学式
C17H26N2O3
mdl
——
分子量
306.405
InChiKey
RKMMBRBUVHVCKY-ZDUSSCGKSA-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):
    2.6
  • 重原子数:
    22
  • 可旋转键数:
    5
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.59
  • 拓扑面积:
    50.8
  • 氢给体数:
    1
  • 氢受体数:
    4

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

  • 作为反应物:
    描述:
    (S)-[1-(3-morpholin-4-yl-phenyl)ethyl]-carbamic acid tert-butyl ester盐酸4-二甲氨基吡啶盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺三乙胺 作用下, 以 甲醇乙醚二氯甲烷 为溶剂, 反应 24.0h, 生成 (S)-3-(4-Fluoro-phenyl)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-acrylamide
    参考文献:
    名称:
    Synthesis and Structure−Activity Relationship of Acrylamides as KCNQ2 Potassium Channel Openers
    摘要:
    A new class of acrylamides was synthesized, and the effects of these analogues on outward potassium current were evaluated by using two electrode voltage clamp recordings from Xenopus laevis oocytes expressing cloned mKCNQ2 channels. SAR studies indicated that the pharmacophore of the acrylamide series includes the (S) absolute configuration at the (1-phenyl)ethyl moiety and the alpha,beta-unsaturated acrylamide functionality with a free NH. This study identified (S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide ((S)-1) and (S)-N-[1-(4-fluoro-3morpholin-4-yl-phenyl)-ethyl]-3-(4-fluoro-phenyl)-acrylamide ((S)-2) as KCNQ2 openers for further electrophysiological evaluations. These two acrylamides demonstrated significant activity in the cortical spreading depression model of migraine as we reported previously.
    DOI:
    10.1021/jm0305826
  • 作为产物:
    参考文献:
    名称:
    Synthesis and Structure−Activity Relationship of Acrylamides as KCNQ2 Potassium Channel Openers
    摘要:
    A new class of acrylamides was synthesized, and the effects of these analogues on outward potassium current were evaluated by using two electrode voltage clamp recordings from Xenopus laevis oocytes expressing cloned mKCNQ2 channels. SAR studies indicated that the pharmacophore of the acrylamide series includes the (S) absolute configuration at the (1-phenyl)ethyl moiety and the alpha,beta-unsaturated acrylamide functionality with a free NH. This study identified (S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide ((S)-1) and (S)-N-[1-(4-fluoro-3morpholin-4-yl-phenyl)-ethyl]-3-(4-fluoro-phenyl)-acrylamide ((S)-2) as KCNQ2 openers for further electrophysiological evaluations. These two acrylamides demonstrated significant activity in the cortical spreading depression model of migraine as we reported previously.
    DOI:
    10.1021/jm0305826
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文献信息

  • [EN] PYRIDAZINE DERIVATIVES FOR INHIBITING BETA AMYLOID PEPTIDE PRODUCTION<br/>[FR] DÉRIVÉS DE PYRIDAZINE POUR INHIBER LA PRODUCTION DE PEPTIDE BÉTA AMYLOÏDE
    申请人:GLAXO GROUP LTD
    公开号:WO2009050227A1
    公开(公告)日:2009-04-23
    The present invention relates to novel compounds that inhibit the production of β- amyloid peptide (1-42), processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated β-amyloid levels or β-amyloid deposits, particularly Alzheimer's disease.
    本发明涉及抑制β-淀粉样肽(1-42)产生的新化合物,其制备方法,含有这些化合物的组合物,以及它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积特征的疾病中的用途,特别是阿尔茨海默病。
  • Design and development of selective competitive fluorescent ligands for the detection and visualization of Kv7.2/7.3 <i>in vitro</i>
    作者:Zhen Qiao、Siyuan Tang、Jialiang Guan、Zhengji Yin、Chao Zhu、Qiqi Zhou、Liming Shao
    DOI:10.1039/d2cc00372d
    日期:——
    A series of specific and potent fluorescent ligands were developed for labelling and visualizing Kv7.2/7.3 based molecular rotation restriction. Probes 21b and 24a were found to be safe and convenient tools to detect and visualize Kv7.2/7.3 in live cells and mouse brain tissue.
    开发了一系列特异性和有效的荧光配体,用于标记和可视化基于 Kv7.2/7.3 的分子旋转限制。发现探针21b和24a是检测和可视化活细胞和小鼠脑组织中的 Kv7.2/7.3 的安全方便的工具。
  • Synthesis and Structure−Activity Relationship of Acrylamides as KCNQ2 Potassium Channel Openers
    作者:Yong-Jin Wu、Huan He、Li-Qiang Sun、Alexandre L'Heureux、Jie Chen、Pierre Dextraze、John E. Starrett,、Christopher G. Boissard、Valentin K. Gribkoff、Joanne Natale、Steven I. Dworetzky
    DOI:10.1021/jm0305826
    日期:2004.5.1
    A new class of acrylamides was synthesized, and the effects of these analogues on outward potassium current were evaluated by using two electrode voltage clamp recordings from Xenopus laevis oocytes expressing cloned mKCNQ2 channels. SAR studies indicated that the pharmacophore of the acrylamide series includes the (S) absolute configuration at the (1-phenyl)ethyl moiety and the alpha,beta-unsaturated acrylamide functionality with a free NH. This study identified (S)-N-[1-(3-morpholin-4-yl-phenyl)-ethyl]-3-phenyl-acrylamide ((S)-1) and (S)-N-[1-(4-fluoro-3morpholin-4-yl-phenyl)-ethyl]-3-(4-fluoro-phenyl)-acrylamide ((S)-2) as KCNQ2 openers for further electrophysiological evaluations. These two acrylamides demonstrated significant activity in the cortical spreading depression model of migraine as we reported previously.
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