3,4-dihydro-8-propyl-7-<<3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propyl>oxy>-2H-1-benzopyran-2-carboxylic acid ethyl ester | 155219-34-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,4-dihydro-8-propyl-7-<<3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propyl>oxy>-2H-1-benzopyran-2-carboxylic acid ethyl ester
• 英文别名: ethyl 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylate；ethyl 7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylate
• CAS: 155219-34-4
• 化学式: C₂₈H₃₆O₇
• 分子量: 484.59
• InChiKey: RGMIJZLUBVAEKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3,4-dihydro-8-propyl-7-<<3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propyl>oxy>-2H-1-benzopyran-2-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 以68%的产率得到7-[3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propoxy]-3,4-dihydro-8-propyl-2H-1-benzopyran-2-carboxylic Acid Sodium Salt
  参考文献：
  名称：

  Leukotriene B.sub.4 antagonists

  摘要：

  这项发明提供了含有来自环状或杂环基团的“酸”取代基的某些1,2,4,5取代苯衍生物。这些独特化合物是白三烯B.sub.4拮抗剂，以及这些衍生物的配方，以及使用这些衍生物治疗由白三烯过度释放引起的疾病的方法。

  公开号：

  US05324743A1
• 作为产物：
  描述：

  3,4-dihydro-7-hydroxy-8-propyl-2H-1-benzopyran-2-carboxylic acid ethyl ester 在 potassium carbonate 、 potassium iodide 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 、 丁酮 为溶剂， 反应 40.0h， 生成 3,4-dihydro-8-propyl-7-<<3-(4-acetyl-2-ethyl-5-hydroxyphenoxy)propyl>oxy>-2H-1-benzopyran-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Leukotriene B4 (LTB4) Receptor Antagonists: A Series of (Hydroxyphenyl)pyrazoles

  摘要：

  A series of (hydroxyphenyl)pyrazoles was designed by molecular modeling comparison with the LTB(4) structure and prepared for evaluation as LTB(4) receptor antagonists, culminating in 4-ethyl-5-[[6-methyl-6-(1H-tetrazol-5-yl)heptyl]oxy]-2-(1H-pyrazol-3-yl)phenyl (2). Using an assay for inhibition of specific [H-3]LTB(4) binding to human PMN, it was found that the pyrazole ring could be methylated at N(1) with little loss of activity while methylation at N(2) reduced activity significantly. The structure-activity relationship of the terminal acid group was investigated. Good activity was found with o- and m-phenylalkanoic acids, chromane carboxylic acid, and tetrazole groups. The best in vitro activity was realized with the pyrazole nitrogen unsubstituted and with a six-carbon chain linking the phenyl ether oxygen to the tetrazole group. Compound 2, having an IC50 of 6.4 +/- 0.8 nM in the binding assay, was selected for further preclinical evaluation.

  DOI：

  10.1021/jm00041a021

文献信息

• Use of PLA.sub.2 inhibitors as treatment for alzheimer's disease
  申请人：Eli Lilly and Company

  公开号：US05478857A1

  公开（公告）日：1995-12-26

  This invention provides methods for the treatment or prevention of Alzheimer's disease in a mammal which comprises administering to a mammal in need thereof an effective amount of an inhibitor of phospholipase A.sub.2. This invention also provides a series of compounds which are useful as inhibitors of phospholipases A.sub.2, especially cytosolic phospholipase A.sub.2.

  该发明提供了治疗或预防哺乳动物阿尔茨海默病的方法，包括向需要的哺乳动物施用磷脂酶A.sub.2的抑制剂的有效量。该发明还提供了一系列化合物，这些化合物可用作磷脂酶A.sub.2的抑制剂，尤其是细胞质磷脂酶A.sub.2。
• [EN] USE OF PLA2 INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE<br/>[FR] UTILISATION D'INHIBITEURS DE PLA2 POUR TRAITER LA MALADIE D'ALZHEIMER
  申请人：ELI LILLY AND COMPANY

  公开号：WO1995017183A1

  公开（公告）日：1995-06-29

  (EN) This invention provides methods for the treatment or prevention of Alzheimer's disease in a mammal which comprises administering to a mammal in need thereof an effective amount of an inhibitor of phospholipase A2. This invention also provides a series of compounds which are useful as inhibitors of phospholipases A2, especially cytosolic phospholipase A2.(FR) L'invention se rapporte à des procédés de traitement ou de prévention de la maladie d'Alzheimer chez un mammifère, ce procédé consistant à administrer à un mammifère nécessitant un tel traitement une dose efficace d'un inhibiteur de phospholipase A2 (PLA2). L'invention se rapporte également à une série de composés aptes à être utilisés comme inhibiteurs de phospholipases A2, en particulier de la phospholipase A2 cytosolique.

  该发明提供了一种治疗或预防哺乳动物阿尔茨海默病的方法，该方法包括向需要治疗的哺乳动物施用有效量的磷脂酶A2抑制剂。该发明还提供了一系列化合物，这些化合物可用作磷脂酶A2的抑制剂，特别是细胞质磷脂酶A2。
• Leukotriene B4 antagonists
  申请人：Eli Lilly and Company

  公开号：US05552441A1

  公开（公告）日：1996-09-03

  This invention provides certain 1,2,4,5 substituted benzene derivatives containing "acid" substituents derived from cyclic or heterocyclic moieties. These unique compounds are leukotriene B.sub.4 antagonists and formulations of these derivatives, and a method of using these derivatives for the treatment of conditions characterized by an excessive release of leukotrienes.

  本发明提供了一些含有“酸”取代基的1,2,4,5取代苯衍生物，这些取代基源于环状或杂环状基团。这些独特的化合物是白三烯B.sub.4拮抗剂，这些衍生物的配方以及使用这些衍生物治疗白三烯过度释放引起的症状的方法。
• Phospholipase A.sub.2 inhibitors
  申请人：Eli Lilly and Company

  公开号：US05563164A1

  公开（公告）日：1996-10-08

  This invention provides methods for the treatment or prevention of Alzheimer's disease in a mammal which comprises administering to a mammal in need thereof an effective amount of an inhibitor of phospholipase A.sub.2. This invention also provides a series of compounds which are useful as inhibitors of phospholipases A.sub.2, especially cytosolic phospholipase A.sub.2.

  本发明提供了一种治疗或预防哺乳动物阿尔茨海默病的方法，包括向需要该治疗的哺乳动物施用有效量的磷脂酶A.sub.2抑制剂。本发明还提供了一系列化合物，这些化合物可用作磷脂酶A.sub.2抑制剂，特别是胞质磷脂酶A.sub.2。
• USE OF PLA 2? INHIBITORS AS TREATMENT FOR ALZHEIMER'S DISEASE
  申请人：ELI LILLY AND COMPANY

  公开号：EP0735870A1

  公开（公告）日：1996-10-09