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Methyl trans-2-methoxy-5-bromomethylcinnamate | 87808-36-4

中文名称
——
中文别名
——
英文名称
Methyl trans-2-methoxy-5-bromomethylcinnamate
英文别名
methyl (E)-3-[5-(bromomethyl)-2-methoxyphenyl]prop-2-enoate
Methyl trans-2-methoxy-5-bromomethylcinnamate化学式
CAS
87808-36-4
化学式
C12H13BrO3
mdl
——
分子量
285.137
InChiKey
JPWGQIPYBWQVPJ-GQCTYLIASA-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):
    2.7
  • 重原子数:
    16
  • 可旋转键数:
    5
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    35.5
  • 氢给体数:
    0
  • 氢受体数:
    3

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:
    参考文献:
    名称:
    Hydroxyacetophenone-derived antagonists of the peptidoleukotrienes
    摘要:
    Considerations of the possible similarities between leukotriene D4 and its prototypical antagonist, FPL 55712, led to the development of a new series of leukotriene antagonists incorporating a hydroxyacetophenone group (e.g., the toluic acids 16 and 18). Although considerable attention has focused on FPL 55712-derived analogues, only limited investigations into alternatives for the standard 4-acetyl-3-hydroxy-2-propylphenoxy moiety have been reported. Therefore, an extensive study of modifications to the hydroxyacetophenone portion of toluic acid 18 was undertaken. Although no viable alternative to the 3-hydroxy moiety was discovered, replacements for the 2-propyl group (34, 37) and the 4-acetyl functionality (56, 59) yielded potent antagonists. A number of compounds exhibited longer duration of action in vivo than FPL 55712.
    DOI:
    10.1021/jm00124a014
  • 作为产物:
    参考文献:
    名称:
    Pharmaceutically active phenylcarboxylic acid derivatives
    摘要:
    本发明涉及一种抗过敏缓激物或其组分,例如白三烯,在温血动物中的化合物,以及它们的中间体和制备方法,制药组合物和其给药方法。该化合物是二苯基羧酸,其个体苯环和羧酸基之间具有特定的连接基团。特定的用途是缓解人类哮喘和炎症。
    公开号:
    US04499299A1
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文献信息

  • US4499299A
    申请人:——
    公开号:US4499299A
    公开(公告)日:1985-02-12
  • Hydroxyacetophenone-derived antagonists of the peptidoleukotrienes
    作者:Frederick J. Brown、Peter R. Bernstein、Laura A. Cronk、David L. Dosset、Kevin C. Hebbel、Thomas P. Maduskuie、Howard S. Shapiro、Edward P. Vacek、Ying K. Yee
    DOI:10.1021/jm00124a014
    日期:1989.4
    Considerations of the possible similarities between leukotriene D4 and its prototypical antagonist, FPL 55712, led to the development of a new series of leukotriene antagonists incorporating a hydroxyacetophenone group (e.g., the toluic acids 16 and 18). Although considerable attention has focused on FPL 55712-derived analogues, only limited investigations into alternatives for the standard 4-acetyl-3-hydroxy-2-propylphenoxy moiety have been reported. Therefore, an extensive study of modifications to the hydroxyacetophenone portion of toluic acid 18 was undertaken. Although no viable alternative to the 3-hydroxy moiety was discovered, replacements for the 2-propyl group (34, 37) and the 4-acetyl functionality (56, 59) yielded potent antagonists. A number of compounds exhibited longer duration of action in vivo than FPL 55712.
  • Pharmaceutically active phenylcarboxylic acid derivatives
    申请人:ICI Americas Inc.
    公开号:US04499299A1
    公开(公告)日:1985-02-12
    Compounds which antagonize the slow-reacting substance of anaphylaxis or components thereof, e.g., leukotrienes, in warm blooded animals as well as intermediates and methods for their preparation, pharmaceutical compositions and methods for their administration. The compounds are diphenyl carboxylic acids with particular linking groups between the individual phenyl rings and the carboxylic acid moiety. Particular utilities are to relieve asthma and inflammation in man.
    本发明涉及一种抗过敏缓激物或其组分,例如白三烯,在温血动物中的化合物,以及它们的中间体和制备方法,制药组合物和其给药方法。该化合物是二苯基羧酸,其个体苯环和羧酸基之间具有特定的连接基团。特定的用途是缓解人类哮喘和炎症。
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