1,6-bis(4-(3-methoxyphenyl)piperazin-1-yl)hexane | 898533-46-5

• 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: 1,6-bis(4-(3-methoxyphenyl)piperazin-1-yl)hexane
• 英文别名: 1-(3-methoxyphenyl)-4-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]piperazine
• CAS: 898533-46-5
• 化学式: C₂₈H₄₂N₄O₂
• 分子量: 466.667
• InChiKey: IMWNCWRNMUKPGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  34
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  31.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,6-二溴己烷 、 1-(3-甲氧基苯基)哌嗪盐酸盐 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以85%的产率得到1,6-bis(4-(3-methoxyphenyl)piperazin-1-yl)hexane
  参考文献：
  名称：

  Discovery of Bishomo(hetero)arylpiperazines as Novel Multifunctional Ligands Targeting Dopamine D₃ and Serotonin 5-HT_1A and 5-HT_2A Receptors

  摘要：

  As a continuation of our efforts to develop innovative ligands for D-3, 5-HT1A, and 5-HT2A receptors with low propensity to block hERG channels, we propose a series bishetero(homo)arylpiperazines 5a-m as novel and potent multifunctional ligands characterized by low occupancy at D-2 and 5-HT2C receptors.

  DOI：

  10.1021/jm100294b

文献信息

• Novel Aryl Piperazine Derivatives With Medical Utility
  申请人：Campiani Giuseppe

  公开号：US20090238761A1

  公开（公告）日：2009-09-24

  This invention provides novel aryl piperazine derivatives having medical utility, in particular as modulators of dopamine and serotonin receptors, preferably the D 3 , D 2 -like and 5-HT 2 receptor subtypes, and in particular useful for the treatment of neuropsychiatric disorders incl. schizophrenia.

  这项发明提供了具有医疗效用的新型芳基哌嗪衍生物，特别是作为多巴胺和5-羟色胺受体的调节剂，优选为D3、D2样和5-HT2受体亚型，特别适用于治疗包括精神分裂症在内的神经精神障碍。
• Discovery of Bishomo(hetero)arylpiperazines as Novel Multifunctional Ligands Targeting Dopamine D₃ and Serotonin 5-HT_1A and 5-HT_2A Receptors
  作者：Stefania Butini、Giuseppe Campiani、Silvia Franceschini、Francesco Trotta、Vinod Kumar、Egeria Guarino、Giuseppe Borrelli、Isabella Fiorini、Ettore Novellino、Caterina Fattorusso、Marco Persico、Nausicaa Orteca、Karin Sandager-Nielsen、Thomas Amos Jacobsen、Kim Madsen、Jorgen Scheel-Kruger、Sandra Gemma

  DOI：10.1021/jm100294b

  日期：2010.6.24

  As a continuation of our efforts to develop innovative ligands for D-3, 5-HT1A, and 5-HT2A receptors with low propensity to block hERG channels, we propose a series bishetero(homo)arylpiperazines 5a-m as novel and potent multifunctional ligands characterized by low occupancy at D-2 and 5-HT2C receptors.