2-{4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}isoindole-1,3-dione | 443143-23-5

• 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-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}isoindole-1,3-dione
• 英文别名: 2-{4-[4-(2,4-dimethoxy-phenyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione；2-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
• CAS: 443143-23-5
• 化学式: C₂₄H₂₉N₃O₄
• 分子量: 423.512
• InChiKey: SZXQDSUFHVJWOH-UHFFFAOYSA-N

物化性质

• 沸点：
  596.4±50.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• 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

• 作为反应物：
  描述：

  2-{4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}isoindole-1,3-dione 在 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以50%的产率得到4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butylamine
  参考文献：
  名称：

  [EN] MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF
  [FR] MODULATEURS DES RECEPTEURS NICOTINIQUES D'ACETYLCHOLINE ALPHA7 ET LEURS UTILISATIONS THERAPEUTIQUES

  摘要：

  公开号：

  WO2006008133A3
• 作为产物：
  描述：

  N-(4-溴丁基)邻苯二甲酰亚胺 在 potassium carbonate 、 sodium iodide 作用下， 以 丁酮 为溶剂， 反应 20.0h， 以68%的产率得到2-{4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl}isoindole-1,3-dione
  参考文献：
  名称：

  [EN] MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF
  [FR] MODULATEURS DES RECEPTEURS NICOTINIQUES D'ACETYLCHOLINE ALPHA7 ET LEURS UTILISATIONS THERAPEUTIQUES

  摘要：

  公开号：

  WO2006008133A3

文献信息

• Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression
  申请人：——

  公开号：US20040077654A1

  公开（公告）日：2004-04-22

  The invention concerns Use of a compound of formula (I) or a physiologically acceptable salt, solvate or derivative thereof, in the manufacture of a medicament for the treatment of diseases ameliorated by LDL-r upregulation, to novel compounds and pharmaceutical compositions within the scope of formula (I).

  该发明涉及使用式(I)的化合物或其生理上可接受的盐、溶剂合物或衍生物，用于制造治疗通过LDL-r上调改善的疾病的药物，以及在式(I)范围内的新化合物和药物组合物。
• Modulators or Alpha7 Nicotinic Acetylcholine Receptors and Therapeutic Uses Thereof
  申请人：Gaviraghi Giovanni

  公开号：US20080275028A1

  公开（公告）日：2008-11-06

  The present invention relates to compounds with α7 nAChR agonistic activity, processes for their preparation, pharmaceutical compositions containing the same and the use thereof for the treatment of neurological, psychiatric, cognitive, immunological and inflammatory disorders.

  本发明涉及具有α7 nAChR激动活性的化合物，其制备方法，含有该化合物的制药组合物以及用于治疗神经、精神、认知、免疫和炎症性疾病的用途。
• MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF
  申请人：Siena Biotech S.p.A.

  公开号：EP1778658A2

  公开（公告）日：2007-05-02
• SAR and biological evaluation of SEN12333/WAY-317538: Novel alpha 7 nicotinic acetylcholine receptor agonist
  作者：Simon N. Haydar、Chiara Ghiron、Laura Bettinetti、Hendrick Bothmann、Thomas A. Comery、John Dunlop、Salvatore La Rosa、Iolanda Micco、Martina Pollastrini、Joanna Quinn、Renza Roncarati、Carla Scali、Michela Valacchi、Maurizio Varrone、Riccardo Zanaletti

  DOI：10.1016/j.bmc.2009.05.040

  日期：2009.7

  Alpha 7 nicotinic acetylcholine receptor (alpha(7) nAChR) agonists are promising therapeutic candidates for the treatment of cognitive impairment associated with a variety of disorders including Alzheimer's disease and schizophrenia. Alpha 7 nAChRs are expressed in brain regions associated with cognitive function, regulate cholinergic neurotransmission and have been shown to be down regulated in both schizophrenia and Alzheimer's disease. Herein we report a novel, potent small molecule agonist of the alpha 7 nAChR, SEN12333/WAY-317538. This compound is a selective agonist of the alpha(7) nAChR with excellent in vitro and in vivo profiles, excellent brain penetration and oral bioavailability, and demonstrates in vivo efficacy in multiple behavioural cognition models. The SAR and biological evaluation of this series of compounds are discussed. (C) 2009 Elsevier Ltd. All rights reserved.
• [EN] MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF<br/>[FR] MODULATEURS DES RECEPTEURS NICOTINIQUES D'ACETYLCHOLINE ALPHA7 ET LEURS UTILISATIONS THERAPEUTIQUES
  申请人：SIENA BIOTECH SPA

  公开号：WO2006008133A3

  公开（公告）日：2006-03-23