1,2,3,4-tetrahydro-6,7-dimethoxy-2-((piperidine-4-yl)methyl)isoquinoline

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1,2,3,4-tetrahydro-6,7-dimethoxy-2-((piperidine-4-yl)methyl)isoquinoline
• 英文别名: 6,7-dimethoxy-2-(piperidin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline；6,7-dimethoxy-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline
• 化学式: C₁₇H₂₆N₂O₂
• 分子量: 290.406
• InChiKey: OQFDXNQGUSOSNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  33.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2,3,4-tetrahydro-6,7-dimethoxy-2-((piperidine-4-yl)methyl)isoquinoline 、 1-萘甲酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.08h， 以35%的产率得到(4-((3,4-dihydro-6,7-dimethoxyisoquinolin-2(1H)-yl)methyl)piperidin-1-yl)(naphthalen-1-yl)methanone
  参考文献：
  名称：

  Synthesis and in vitro evaluation of tetrahydroisoquinolines with pendent aromatics as sigma-2 (σ₂) selective ligands

  摘要：

  Sigma-2 选择性配体 - 一项结构活性关系研究表明，衍生物的效力和选择性增加，有潜力转化为放射标记配体。

  DOI：

  10.1039/c3ob42254b
• 作为产物：
  描述：

  6,7-二甲氧基-1,2,3,4-四氢异喹啉 在 potassium carbonate 、 三氟乙酸 、 sodium iodide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 7.5h， 生成 1,2,3,4-tetrahydro-6,7-dimethoxy-2-((piperidine-4-yl)methyl)isoquinoline
  参考文献：
  名称：

  Conjugates of salicylaldoximes and peripheral site ligands: Novel efficient nonquaternary reactivators for nerve agent-inhibited acetylcholinesterase

  摘要：

  A new family of nonquaternary reactivators for nerve agent-inhibited human acetylcholinesterase (hAChE) were designed, synthesized and tested in this paper. It was found that salicylaldoximes were able to quickly cleave the P-S bond of organophosphate and avoid the reinhibition phenomenon in the reactivation process, but they lacked reactivating ability due to poor affinity for AChE. Based on a dual site binding strategy, different peripheral site ligands of AChE were introduced to achieve extra affinity. The in vitro reactivation experiments demonstrated that some of the yielding conjugates exhibited similar or even superior ability to reactivate sarin-, VX- or tabun-inhibited hAChE in comparison with the mono-and bis-pyridinium aldoximes currently used. Moreover, due to greatly improved lipophilicity, these nonquaternary conjugates hold promise for the development of efficient centrally activating reactivators. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2017.06.041

文献信息

• 5-HT7 receptor antagonists
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1676844A1

  公开（公告）日：2006-07-05

  The invention relates to compounds having pharmacological activity towards the 5-HT7 receptor, and more particularly to some tetrahydroisoquinoline substituted sulfonamide compounds of the formula I: to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use for the treatment and or prophylaxis of a disease in which 5-HT is involved, such as CNS disorders.

  这项发明涉及对5-HT7受体具有药理活性的化合物，更具体地涉及一些式I的四氢异喹啉取代磺胺基化合物的制备过程，包括含有它们的药物组合物，以及它们用于治疗和/或预防涉及5-HT的疾病，如中枢神经系统紊乱的用途。
• 5-Ht7 Receptor Antagonists
  申请人：Torrens Jover Antoni

  公开号：US20080214603A1

  公开（公告）日：2008-09-04

  The invention relates to compounds having pharmacological activity towards the 5-HT7 receptor, and more particularly to some tetrahydroisoquinoline substituted sulfonamide compounds, to processes of preparation of such compounds, to pharmaceutical compositions comprising them, and to their use for the treatment and or prophylaxis of a disease in which 5-HT is involved, such as CNS disorders.

  本发明涉及具有对5-HT7受体的药理活性的化合物，更具体地涉及一些四氢异喹啉取代磺酰胺化合物，以及制备这些化合物的方法，包括它们的药物组成物，以及它们用于治疗和/或预防5-HT参与的疾病，如中枢神经系统疾病的用途。
• 5-HT7 RECEPTOR ANTAGONISTS
  申请人：LABORATORIOS DEL DR. ESTEVE, S.A.

  公开号：EP1831195B1

  公开（公告）日：2012-12-19
• US7345057B2
  申请人：——

  公开号：US7345057B2

  公开（公告）日：2008-03-18
• US7928121B2
  申请人：——

  公开号：US7928121B2

  公开（公告）日：2011-04-19