5-(2-(4-benzoylpiperazin-1-yl)ethyl)-3,3-diethyldihydrofuran-2(3H)-one | 1453083-88-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-(2-(4-benzoylpiperazin-1-yl)ethyl)-3,3-diethyldihydrofuran-2(3H)-one
• 英文别名: 5-[2-(4-benzoylpiperazin-1-yl)ethyl]-3,3-diethyloxolan-2-one
• CAS: 1453083-88-9
• 化学式: C₂₁H₃₀N₂O₃
• 分子量: 358.481
• InChiKey: BPNHCMJFQHOFDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,3-diethyl-5-(2-hydroxyethyl)dihydrofuran-2(3H)-one 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 72.0h， 生成 5-(2-(4-benzoylpiperazin-1-yl)ethyl)-3,3-diethyldihydrofuran-2(3H)-one
  参考文献：
  名称：

  Homologation as a lead modification approach en route to a series of lactone-based muscarinic ligands

  摘要：

  Previous work identified the lactone ring as a useful scaffold for the design of muscarinic ligands and reported a lactone-based ligand with an IC50 of 340 nM. Using homologation as a lead modification approach, a new series of lactone-based compounds have been designed, synthesized, and screened in muscarinic binding assays. The approach provided a series of compounds with improved % inhibition values and identified the highest affinity lactone-based ligand reported to date. The results of these efforts and the structure-activity relationship for this series of lactones-based ligands are discussed.

  DOI：

  10.1007/s00044-013-0692-3

文献信息

• [EN] NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE<br/>[FR] NOUVEAUX LIANTS DES RÉCEPTEURS SIGMA 2 ET LEUR PROCÉDÉ D'UTILISATION
  申请人：TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：WO2016183150A1

  公开（公告）日：2016-11-17

  Pharmaceutical compositions of the invention comprise functionalized lactone derivatives having a disease-modifying action in the treatment of diseases associated with dysregulation of sigma-2 receptor activity.

  本发明的药物组合物包括具有疾病修饰作用的功能化内酯衍生物，在治疗与σ-2受体活性失调相关的疾病中发挥作用。
• NOVEL 5-HYDROXYTRYPTAMINE RECEPTOR 7 ACTIVITY MODULATORS AND THEIR METHOD OF USE
  申请人：TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：US20160016941A1

  公开（公告）日：2016-01-21

  Pharmaceutical compositions of the invention comprise functionalized lactone derivatives having a disease-modifying action in the treatment of diseases associated with dysregulation of 5-hydroxytryptamine receptor 7 activity.

  本发明的制药组合物包括具有疾病修饰作用的功能化内酯衍生物，用于治疗与5-羟色胺受体7活性失调相关的疾病。
• 5-hydroxytryptamine receptor 7 activity modulators and their method of use
  申请人：TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：US10239868B2

  公开（公告）日：2019-03-26

  Pharmaceutical compositions of the invention comprise functionalized lactone derivatives having a disease-modifying action in the treatment of diseases associated with dysregulation of 5-hydroxytryptamine receptor 7 activity.

  本发明的药物组合物包括在治疗与 5-羟色胺受体 7 活性失调有关的疾病方面具有疾病调节作用的官能化内酯衍生物。
• NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE
  申请人：Temple University-Of The Commonwealth System of Higher Education

  公开号：US20180221365A1

  公开（公告）日：2018-08-09

  Pharmaceutical compositions of the invention comprise functionalized lactone derivatives having a disease-modifying action in the treatment of diseases associated with dysregulation of sigma-2 receptor activity.
• SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE
  申请人：Temple University-Of The Commonwealth System of Higher Education

  公开号：US20220133713A1

  公开（公告）日：2022-05-05

  Pharmaceutical compositions of the invention comprise functionalized lactone derivatives having a disease-modifying action in the treatment of diseases associated with dysregulation of sigma-2 receptor activity.