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ethyl 5-bromo-1-(4-methylbenzyl)-1H-indole-2-carboxylate | 481630-92-6

中文名称
——
中文别名
——
英文名称
ethyl 5-bromo-1-(4-methylbenzyl)-1H-indole-2-carboxylate
英文别名
ethyl 5-bromo-1-[(4-methylphenyl)methyl]indole-2-carboxylate
ethyl 5-bromo-1-(4-methylbenzyl)-1H-indole-2-carboxylate化学式
CAS
481630-92-6
化学式
C19H18BrNO2
mdl
——
分子量
372.261
InChiKey
QYTQZAXFVWRJFD-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):
    5.2
  • 重原子数:
    23
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.21
  • 拓扑面积:
    31.2
  • 氢给体数:
    0
  • 氢受体数:
    2

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:
    ethyl 5-bromo-1-(4-methylbenzyl)-1H-indole-2-carboxylate4-三氟甲氧基苯硼酸 以The product was obtained as an off-white solid, m.p. 77-78° C的产率得到ethyl 1-(4-methylbenzyl)-5-[4-(trifluoromethoxy)phenyl]-1H-indole-2-carboxylate
    参考文献:
    名称:
    Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1)
    摘要:
    这项发明提供了以下式子的化合物:其中:X是化学键,-CH2-或-C(O)-;R1是烷基、环烷基、-CH2-环烷基、吡啶基、-CH2-吡啶基、苯基或苄基;R2是H、烷基、环烷基、-CH2-环烷基或全氟烷基;R3是H、卤素、烷基、全氟烷基、烷氧基、环烷基、-CH2-环烷基、-NH2或-NO2;R4是可选择取代的苯基、苄基、苄氧基、吡啶基或-CH2-吡啶基,或其盐或酯形式,以及使用这些化合物作为纤溶酶原激活抑制剂-1(PAI-1)的抑制剂的方法以及作为治疗深静脉血栓和冠心病、肺纤维化等纤溶障碍相关疾病的治疗组合物的方法。
    公开号:
    US07074817B2
  • 作为产物:
    参考文献:
    名称:
    Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1)
    摘要:
    这项发明提供了以下结构的化合物:其中:X是化学键,-CH2-或-C(O)-;R1是烷基、环烷基、-CH2-环烷基、吡啶基、-CH2-吡啶基、苯基或苄基;R2是H、烷基、环烷基、-CH2-环烷基或全氟烷基;R3是H、卤素、烷基、全氟烷基、烷氧基、环烷基、-CH2-环烷基、-NH2或-NO2;R4是可选择地取代的苯基、苄基、苄氧基、吡啶基或-CH2-吡啶基,或其盐或酯形式,以及使用这些化合物作为纤溶酶原激活抑制剂-1(PAI-1)的抑制剂和作为治疗配方,用于治疗由纤溶障碍引起的疾病,如深静脉血栓形成、冠心病和肺纤维化。
    公开号:
    US20030125371A1
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文献信息

  • [EN] SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1)<br/>[FR] DERIVES D'ACIDE INDOLE SUBSTITUE UTILISES EN TANT QU'INHIBITEURS DE L'INHIBITEUR-1 (PAI-1) DE L'ACTIVATEUR PLASMINOGENE
    申请人:WYETH CORP
    公开号:WO2003000253A1
    公开(公告)日:2003-01-03
    This invention provides compounds of the formula : (I) wherein: X is a chemical bond, -CH2- or -C(O)-; R1 is alkyl, cycloalkyl, -CH2-cycloalkyl, pyridinyl, -CH2-pyridinyl, phenyl or benzyl; R2 is H, alkyl, cycloalkyl, -CH2-cycloalkyl, or perfluoroalkyl; R3 is H, halo, alkyl, perfluoroalkyl, alkoxy, cycloalkyl, -CH2-cycloalkyl, -NH2, or -NO2; R4 is optionally substituted phenyl, benzyl, benzyloxy, pyridinyl, or -CH2-pyridinyl, or the salt or ester forms thereof, as well as methods for using the compounds as inhibitors of plasminogen activator inhibitor-1 (PAI-1) and as therapeutic compositions for treating conditions resulting from fibrinolytic disorders such as deep vein thrombosis and coronary heart disease, and pulmonary fibrosis, and processes for their preparation.
    本发明提供了式(I)的化合物:其中:X是化学键,-CH2-或-C(O)-; R1是烷基,环烷基,-CH2-环烷基,吡啶基,-CH2-吡啶基,苯基或苄基; R2是H,烷基,环烷基,-CH2-环烷基或全氟烷基; R3是H,卤素,烷基,全氟烷基,烷氧基,环烷基,-CH2-环烷基,-NH2或-NO2; R4是可选取代的苯基,苄基,苄氧基,吡啶基或-CH2-吡啶基,或其盐或酯形式,以及将该化合物用作纤溶酶原激活物抑制剂-1(PAI-1)的抑制剂和用作治疗由于纤溶失调引起的疾病的治疗组合物,例如深静脉血栓和冠心病,肺纤维化以及其制备方法。
  • Substituted dihydropyrano indole-3,4-dione derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1)
    申请人:Elokdah M. Hassan
    公开号:US20050113436A1
    公开(公告)日:2005-05-26
    Compounds of formula (I) and II) are provided wherein: X is an alkali metal or a basic amine moiety; R 1 is alkyl, cycloalkyl, —CH 2 -cycloalkyl, pyridinyl, —CH 2 -pyridinyl, phenyl or benzyl, the rings of these groups being optionally substituted; R 2 is H, halogen, alkyl, perfluoroalkyl, alkoxy, cycloalkyl, —CH 2 -cycloalkyl, —NH 2 , or —NO 2 ; R 3 is phenyl, benzyl, benzyloxy, pyridinyl, or —CH 2 -pyridinyl, with the rings of these groups being optionally substituted; or a pharmaceutically acceptable salt or ester form thereof, as well as pharmaceutical compositions and methods using these compounds as inhibitors of plasminogen activator inhibitor-1 (PAI-1) and as therapeutic compositions for treating conditions resulting from fibrinolytic disorders such as deep vein thrombosis and coronary heart disease, and pulmonary fibrosis.
    提供了化合物(I)和(II)的公式,其中:X是碱金属或碱性胺基;R1是烷基、环烷基、—CH2-环烷基、吡啶基、—CH2-吡啶基、苯基或苄基,这些基团的环可以有取代基;R2是氢、卤素、烷基、全氟烷基、烷氧基、环烷基、—CH2-环烷基、—NH2或—NO2;R3是苯基、苄基、苄氧基、吡啶基或—CH2-吡啶基,这些基团的环可以有取代基;或其药学上可接受的盐或酯形式,以及使用这些化合物作为纤溶酶原激活抑制剂-1(PAI-1)的抑制剂和治疗深静脉血栓和冠心病等纤溶障碍症状及肺纤维化的治疗组合物和方法。
  • SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1)
    申请人:Elokdah Hassan Mahmoud
    公开号:US20080214647A1
    公开(公告)日:2008-09-04
    This invention provides compounds of the formula: wherein: X is a chemical bond, —CH 2 — or —C(O)—; R 1 is alkyl, cycloalkyl, —CH 2 — cycloalkyl, pyridinyl, —CH 2 -pyridinyl, phenyl or benzyl; R 2 is H, alkyl, cycloalkyl, —CH 2 -cycloalkyl, or perfluoroalkyl; R 3 is H, halo, alkyl, perfluoroalkyl, alkoxy, cycloalkyl, —CH 2 -cycloalkyl, —NH 2 , or —NO 2 ; R 4 is optionally substituted phenyl, benzyl, benzyloxy, pyridinyl, or —CH 2 -pyridinyl, or the salt or ester forms thereof, as well as methods for using the compounds as inhibitors of plasminogen activator inhibitor-1 (PAI-1) and as therapeutic compositions for treating conditions resulting from fibrinolytic disorders such as deep vein thrombosis and coronary heart disease, and pulmonary fibrosis.
    该发明提供了以下结构的化合物: 其中:X是化学键,-CH2-或-C(O)-;R1是烷基,环烷基,-CH2-环烷基,吡啶基,-CH2-吡啶基,苯基或苄基;R2是H,烷基,环烷基,-CH2-环烷基或全氟烷基;R3是H,卤素,烷基,全氟烷基,烷氧基,环烷基,-CH2-环烷基,-NH2或-NO2;R4是可选取代的苯基,苄基,苄氧基,吡啶基或-CH2-吡啶基,或其盐或酯形式,以及将这些化合物用作纤溶酶原激活抑制剂-1(PAI-1)的抑制剂和治疗深静脉血栓和冠心病等纤溶障碍引起的疾病以及肺纤维化的治疗组合物的方法。
  • Substituted dihydropyrano indole-3,4-dione derivatives as inhibitiors of plasminogen activator inhibitor-1 (PAI-1)
    申请人:Wyeth
    公开号:US07101903B2
    公开(公告)日:2006-09-05
    Compounds of formula (I) and II) are provided wherein: X is an alkali metal or a basic amine moiety; R1 is alkyl, cycloalkyl, —CH2-cycloalkyl, pyridinyl, —CH2-pyridinyl, phenyl or benzyl, the rings of these groups being optionally substituted; R2 is H, halogen, alkyl, perfluoroalkyl, alkoxy, cycloalkyl, —CH2-cycloalkyl, —NH2, or —NO2; R3 is phenyl, benzyl, benzyloxy, pyridinyl, or —CH2-pyridinyl, with the rings of these groups being optionally substituted; or a pharmaceutically acceptable salt or ester form thereof, as well as pharmaceutical compositions and methods using these compounds as inhibitors of plasminogen activator inhibitor-1 (PAI-1) and as therapeutic compositions for treating conditions resulting from fibrinolytic disorders such as deep vein thrombosis and coronary heart disease, and pulmonary fibrosis.
    提供了式(I)和(II)的化合物,其中:X是碱金属或碱性胺基基团;R1是烷基、环烷基、—CH2-环烷基、吡啶基、—CH2-吡啶基、苯基或苄基,这些基团的环可以选择性地被取代;R2是H、卤素、烷基、全氟烷基、烷氧基、环烷基、—CH2-环烷基、—NH2或—NO2;R3是苯基、苄基、苄氧基、吡啶基或—CH2-吡啶基,这些基团的环可以选择性地被取代;或其药学上可接受的盐或酯形式,以及使用这些化合物作为纤溶酶原激活抑制剂-1(PAI-1)的抑制剂和治疗深静脉血栓和冠心病等纤溶障碍症状以及肺纤维化的治疗组合物和方法。
  • SUBSTITUTED DIHYDROPYRANO INDOLE-3,4-DIONE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1)
    申请人:Wyeth
    公开号:EP1569639A2
    公开(公告)日:2005-09-07
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