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6-bromo-2-ethylisoquinolin-1(2H)-one

中文名称
——
中文别名
——
英文名称
6-bromo-2-ethylisoquinolin-1(2H)-one
英文别名
6-bromo-2-ethylisoquinoline-1-one;6-bromo-2-ethylisoquinolin-1-one
6-bromo-2-ethylisoquinolin-1(2H)-one化学式
CAS
——
化学式
C11H10BrNO
mdl
——
分子量
252.11
InChiKey
INXBYWTUHGWMES-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):
    2.6
  • 重原子数:
    14
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.18
  • 拓扑面积:
    20.3
  • 氢给体数:
    0
  • 氢受体数:
    1

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

点击查看最新优质反应信息

文献信息

  • Dairyl-substituted five-membered heterocycle derivative
    申请人:Hirata Yukari
    公开号:US20070173507A1
    公开(公告)日:2007-07-26
    The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.
    本发明提供了由公式(I)所表示的化合物:(I)或其药物盐,其中:X1代表氧原子等,X2代表氮原子等,X3代表氮原子等,X4代表氮原子等,R1代表公式(II-1):其中X5代表硫原子等,A1代表碳原子等,A2代表氮原子等,A环代表苯基等,具有mGluR1抑制作用,适用于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性脑缺血发作、精神疾病如精神分裂症、焦虑、药物依赖、帕金森病或胃肠道疾病。
  • DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE
    申请人:Hirata Yukari
    公开号:US20110160208A1
    公开(公告)日:2011-06-30
    The present invention provides the compounds represented by formula (I): or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being useful for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.
    本发明提供了以下式子(I)所代表的化合物或其药物盐,其中:X1代表氧原子等,X2代表氮原子等,X3代表氮原子等,X4代表氮原子等,R1代表式子(II-1):其中X5代表硫原子等,A1代表碳原子等,A2代表氮原子等,环A代表苯基等,具有mGluR1抑制作用,并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病有用。
  • Diaryl-substituted five-membered heterocycle derivative
    申请人:Banyu Pharmaceutical Co., Ltd.
    公开号:US07902369B2
    公开(公告)日:2011-03-08
    The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X1 represents oxygen atoms and the like, X2 represents nitrogen atoms and the like, X3 represents nitrogen atoms and the like, X4 represents nitrogen atoms and the like, R1 represents formula (II-1): wherein X5 represents sulfur atoms and the like, A1 represents carbon atoms and the like, A2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.
    本发明提供了由式(I)表示的化合物或其药物盐,其中:X1代表氧原子等,X2代表氮原子等,X3代表氮原子等,X4代表氮原子等,R1表示公式(II-1):其中X5代表硫原子等,A1代表碳原子等,A2代表氮原子等,A环表示苯基等,具有mGluR1抑制作用,并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑疾病如脑梗塞或暂时性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病具有用处。
  • Rhodium(I)‐Catalyzed Asymmetric Hydroarylative Cyclization of 1,6‐Diynes to Access Atropisomerically Labile Chiral Dienes
    作者:Panjie Hu、Lingfei Hu、Xiao‐Xi Li、Mengxiao Pan、Gang Lu、Xingwei Li
    DOI:10.1002/anie.202312923
    日期:2024.1.2
    Rhodium(I)-catalyzed hydroarylative cyclization of 1,6-diynes with three distinct classes of arenes has been realized, enabling highly enantioselective synthesis of a broad range of axially chiral 1,3-dienes that are conformationally labile. Detailed mechanistic studies have been explored by experimental and computational methods.
    铑 (I) 催化的 1,6-二炔与三种不同类别的芳烃的加氢芳基环化已经实现,从而能够高度对映选择性合成各种构象不稳定的轴向手性 1,3-二烯。详细的机理研究已经通过实验和计算方法进行了探索。
  • EP1726585
    申请人:——
    公开号:——
    公开(公告)日:——
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