2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1H-isoindole-1,3(2H)-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1H-isoindole-1,3(2H)-dione
• 英文别名: 2-[4-[4-(2,3-Dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]isoindole-1,3-dione
• 化学式: C₂₄H₂₇N₃O₄
• 分子量: 421.496
• InChiKey: MNGOGZQMMAJHCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  62.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(4-溴丁基)邻苯二甲酰亚胺 、 1-(2,3-二氢-1,4-苯并二烷-5-基)哌嗪盐酸盐 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]butyl]-1H-isoindole-1,3(2H)-dione
  参考文献：
  名称：

  Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands structure-activity relationships

  摘要：

  The agonistic/antagonistic profile of a series of 10 N4-substituted1-(2,3-dihydro-1,4-benzodioxin- 5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agonism/antagonism (phthalimidobutyl derivative 7) to predominantly antagonism (saccharinbutyl derivate 9). A novel full antagonist 10, as potent as WAY 100635, is obtained by substitution of Cl at C-7 of the benzodioxinyl moiety in 9. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00406-5

文献信息

• ARYLOSULFONAMIDES FOR THE TREATMENT OF CNS DISEASES
  申请人：Kolaczkowski Marcin

  公开号：US20130172365A1

  公开（公告）日：2013-07-04

  Arylsulphonamide derivatives of formula (I) and pharmaceutically acceptable salts thereof. The compounds may be useful for the treatment and/or prevention of disorders of the central nervous system.

  化学式（I）的芳基磺胺衍生物及其药用盐。这些化合物可能对中枢神经系统疾病的治疗和/或预防有用。
• US8822517B2
  申请人：——

  公开号：US8822517B2

  公开（公告）日：2014-09-02
• US9120767B2
  申请人：——

  公开号：US9120767B2

  公开（公告）日：2015-09-01
• Functional characteristics of a series of N4-substituted 1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazines as 5-HT1A receptor ligands structure-activity relationships
  作者：B.J. van Steen、I. van Wijngaarden、E. Ronken、W. Soadijn

  DOI：10.1016/s0960-894x(98)00406-5

  日期：1998.9

  The agonistic/antagonistic profile of a series of 10 N4-substituted1-(2,3-dihydro-1,4-benzodioxin- 5-yl)piperazines is evaluated in the in vitro adenylyl cyclase assay. The profile is severely affected by the characteristics of the N4-substituents ranging from full agonism (benzamidoethyl derivative 1), mixed agonism/antagonism (phthalimidobutyl derivative 7) to predominantly antagonism (saccharinbutyl derivate 9). A novel full antagonist 10, as potent as WAY 100635, is obtained by substitution of Cl at C-7 of the benzodioxinyl moiety in 9. (C) 1998 Elsevier Science Ltd. All rights reserved.