1-[4-(2-Bromoethoxy)-2-hydroxy-3-propylphenyl]ethanone | 57162-00-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(2-Bromoethoxy)-2-hydroxy-3-propylphenyl]ethanone
• 英文别名: 4-(2-bromoethoxy)-2-hydroxy-3-propylacetophenone；2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethyl bromide
• CAS: 57162-00-2
• 化学式: C₁₃H₁₇BrO₃
• 分子量: 301.18
• InChiKey: YCMMPTSFLJDKRH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Diethyl 4-(mercaptomethyl)-1,3-oxathiolane 2,2-dipropanoate 、 1-[4-(2-Bromoethoxy)-2-hydroxy-3-propylphenyl]ethanone 生成 Diethyl 4[[[2-(4-acetyl-3-hydroxy-2-propylphenoxy) ethyl]thio]methyl]-1,3-oxathiolane-2,2-dipropanoate
  参考文献：
  名称：

  DEASON, JAMES R.;STEALEY, MICHAEL A.;WEIER, RICHARD M.

  摘要：

  DOI：
• 作为产物：
  描述：

  2,4-二羟基-3-丙基苯乙酮 以79%的产率得到
  参考文献：
  名称：

  DEASON, JAMES R.;STEALEY, MICHAEL A.;WEIER, RICHARD M.

  摘要：

  DOI：

文献信息

• Leukotriene LTD.sub.4 and LTB.sub.4 antagonists
  申请人：G. D. Searle & Co.

  公开号：US04923891A1

  公开（公告）日：1990-05-08

  This invention encompasses compounds of Formula I ##STR1## and the pharmaceutically acceptable salts and geometrical and optical isomers thereof wherein: X, Y, and Z are each independently O or S with S optionally oxidized to S=O; Alk is straight or branched chain alkylene or hydroxyalkylene containing 1-6 carbon atoms; R.sub.1 is hydrogen or lower alkyl; n is 0 to 5; R.sub.2 is hydrogen, lower alkyl, cycloalkyl, --(CH.sub.2).sub.n --CO.sub.2 R.sub.1, phenyl, phenyl substituted with halo, lower alkyl or lower alkoxy; and Ar is 5,6,7,8-tetrahydro-1-naphthalenyl, phenyl, or phenyl substituted with lower alkyl, hydroxy, lower alkoxy, or lower alkanoyl. This invention is in the field of pharmaceutical agents which act as leukotriene D.sub.4 (LTD.sub.4) antagonists and includes embodiments which act as leukotriene B.sub.4 (LTD.sub.4) antagonists.

  这项发明涵盖了Formula I的化合物##STR1##及其药用可接受的盐和几何和光学异构体，其中：X、Y和Z分别独立地为O或S，其中S可氧化为S=O；Alk为含有1-6个碳原子的直链或支链烷基或羟基烷基；R.sub.1为氢或较低的烷基；n为0至5；R.sub.2为氢、较低的烷基、环烷基、--(CH.sub.2).sub.n --CO.sub.2 R.sub.1、苯基、苯基取代物与卤素、较低烷基或较低烷氧基；Ar为5,6,7,8-四氢-1-萘基、苯基或苯基取代物与较低烷基、羟基、较低烷氧基或较低烷酰基。这项发明涉及作为白三烯D.sub.4（LTD.sub.4）拮抗剂的药用剂，包括作为白三烯B.sub.4（LTD.sub.4）拮抗剂的实施形式。
• Novel Compounds as Modulators of Ppar
  申请人：Malecha James W.

  公开号：US20080287477A1

  公开（公告）日：2008-11-20

  Compounds as modulators of peroxisome proliferator activated receptors, pharmaceutical compositions comprising the same, and methods of treating disease using the same are disclosed.

  化合物作为过氧化物酶体增殖激活受体的调节剂，包含这些化合物的药物组合物，以及利用这些药物治疗疾病的方法被披露。
• 4'-Carboxy-flavone
  申请人：Fisons Limited

  公开号：US03948955A1

  公开（公告）日：1976-04-06

  There are provided compounds of the formula: ##SPC1## (wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4, which may be the same or different, each represent hydrogen, hydroxy, alkenyl, alkanoyl or alkyl, and X represents a hydrocarbon chain containing from 2 to 10 carbon atoms, optionally substituted by a hydroxy group) and pharmaceutically acceptable derivatives thereof. The compounds are antagonists of the slow reacting substance of anaphylaxis.

  提供的化合物的公式为：##SPC1##（其中R.sup.1、R.sup.2、R.sup.3和R.sup.4，可以相同也可以不同，分别代表氢、羟基、烯基、醇酰基或烷基，X代表含有2至10个碳原子的碳氢链，可选择性地被羟基基团取代），以及其药学上可接受的衍生物。这些化合物是过敏激素缓慢反应物的拮抗剂。
• Pharmaceutical compositions containing 4-carboxy-flavones
  申请人：Fisons Limited

  公开号：US04042708A1

  公开（公告）日：1977-08-16

  There are provided processes for preparing compounds of the formula: ##STR1## (wherein R.sup.1, R.sup.2, R.sup.3 and R.sup.4, which may be the same or different, each represent hydrogen, hydroxy, alkenyl, alkanoyl or alkyl, and X represents a hydrocarbon chain containing from 2 to 10 carbon atoms, optionally substituted by a hydroxy group) and pharmaceutically acceptable derivatives thereof, and pharmaceutical compositions containing them. The compounds are antagonists of the slow reacting substance of anaphylaxis.

  提供了制备以下化合物的过程：##STR1##（其中R.sup.1、R.sup.2、R.sup.3和R.sup.4，可以相同也可以不同，分别代表氢、羟基、烯基、醇酰基或烷基，X代表含有2至10个碳原子的碳氢链，可选地被羟基取代），以及其在药学上可接受的衍生物，并含有它们的药物组合物。这些化合物是过敏性缓慢反应物质的拮抗剂。
• Derivatives of 4-acetyl-3-hydroxy-2-alkyl-phenoxycarboxylic acids
  申请人：Hoffmann-La Roche Inc.

  公开号：US04672066A1

  公开（公告）日：1987-06-09

  The invention relates to compounds of the formula ##STR1## wherein R is hydrogen or lower alkyl, Y is alkylene; Z is alkylene, ##STR2## the asterisk herein denotes bonding to the substituted acetophenone; R.sub.2 is hydrogen or lower alkoxy; and n is an integer of 1 to 3; A is ##STR3## and HET is a 5-or 6- membered nitrogen containing heterocyclic group, and their acid addition salts. The compounds of formula I of the invention are useful for the treatment of allergic conditions, such as, asthma and cardiovascular diseases, such as, angina and arrhythmias.

  本发明涉及一种公式为##STR1##的化合物，其中R为氢或低级烷基，Y为烷基；Z为烷基，##STR2##此处星号表示与取代的乙酰苯酮结合；R.sub.2为氢或低级烷氧基；n为1至3的整数；A为##STR3##，HET为含有5或6个成员的氮杂环异构基团，以及它们的酸加成盐。本发明的I型化合物可用于治疗过敏症，如哮喘和心血管疾病，如心绞痛和心律失常。