3-((piperidin-4-yloxy)methyl)pyridine | 933716-32-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-((piperidin-4-yloxy)methyl)pyridine
• 英文别名: 3-(piperidin-4-yloxymethyl)pyridine
• CAS: 933716-32-6
• 化学式: C₁₁H₁₆N₂O
• 分子量: 192.261
• InChiKey: KTJBVZFNQRJDHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-((piperidin-4-yloxy)methyl)pyridine 、 4-bromo-1-phenyl-1H-imidazole 在 sodium t-butanolate 作用下， 以 四氢呋喃 为溶剂， 生成 C₂₀H₂₂N₄O
  参考文献：
  名称：

  丰富的数据实验可实现钯催化的哌啶和五元（杂）芳族亲电试剂的偶联

  摘要：

  为了规避钯催化的C–N交叉偶联方法中的电流限制，使用了高通量实验来鉴定能够将基于哌啶的亲核试剂与五元（杂）芳族溴化物融合的催化剂。发现了标准亲电试剂的分解途径，并且使用基础筛选来鉴定抑制该不希望有的转化的条件。在此基础上，使用“实验设计”方法进行系统优化可提供温和的反应条件，然后将其应用于各种偶联伙伴。

  DOI：

  10.1021/acs.oprd.9b00233

文献信息

• 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：BAO JIANMING

  公开号：US20170183342A1

  公开（公告）日：2017-06-29

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及6,7-二氢-5H-吡咯[3,4-b]吡啶-5-酮化合物，这些化合物是M4毒蕈碱乙酰胆碱受体的变构调节剂。本发明还涉及在本申请中描述的化合物在潜在治疗或预防神经和精神障碍和疾病中的应用，其中涉及M4毒蕈碱乙酰胆碱受体。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及M4毒蕈碱乙酰胆碱受体的疾病的应用。
• Pd^II -Mediated Oxidative Amination for Access to a 9-Azabicyclo[4.2.1]nonane Compound Library and Anatoxin-a
  作者：Rafid S. Dawood、Suresh R. Chidipudi、Daniel C. O'Connor、William Lewis、Daniel Hamza、Christopher A. Pearce、Geraint Jones、Ross P. Wilkie、Irene Georgiou、Thomas E. Storr、Jonathan C. Moore、Robert A. Stockman

  DOI：10.1002/ejoc.201801209

  日期：2018.11.1

  Biologically relevant 9 azabicyclo[4.2.1]nonanes can be synthesised through an intramolecular oxidative amination of aminocyclooct‐4‐enes. The reaction is generally high yielding, has good substrate scope and proceeds under “ligand‐free” catalytic conditions. The protocol was applied to the synthesis of anatoxin‐a and a series of chemical scaffolds, which were further derivatised to form an 881‐membered

  与生物相关的9个氮杂双环[4.2.1]壬烷可以通过氨基环辛-4-烯的分子内氧化胺化反应合成。该反应通常收率高，具有良好的底物范围，可在“无配体”催化条件下进行。该方案适用于合成Anatoxin-a和一系列化学支架，并将其进一步衍生化以形成881元化合物库。
• NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION
  申请人：Oshima Kunio

  公开号：US20120225866A1

  公开（公告）日：2012-09-06

  The present invention provides a novel diazepine compound that blocks the I Kur current or the Kv1.5 channel potently and more selectively than other K + channels. The present invention relates to a diazepine compound represented by General Formula (1) or a salt thereof, wherein R 1 , R 2 , R 3 , and R 4 are each independently hydrogen, lower alkyl, cyclo lower alkyl or lower alkoxy lower alkyl; R 2 and R 3 may be linked to form lower alkylene; A 1 is lower alkylene optionally substituted with one or more substituents selected from the group consisting of hydroxyl and oxo; Y 1 and Y 2 are each independently —N═ or —CH═; and R 5 is group represented by wherein R 6 and R 7 are each independently hydrogen or organic group; R 6 and R 7 may be linked to form a ring together with the neighboring group —X A —N—X B —; X A and X B are each independently a bond, lower alkylene, etc.

  本发明提供了一种新型的二氮杂环化合物，它可以有效地阻断IKur电流或Kv1.5通道，并比其他K+通道更具选择性。本发明涉及一种由通式（1）表示的二氮杂环化合物或其盐，其中R1、R2、R3和R4各自独立地表示氢、低碳基、环状低碳基或低烷氧基低碳基；R2和R3可以连接形成低碳烷基；A1是低碳烷基，可选地取代一个或多个羟基和氧代基；Y1和Y2各自独立地表示—N═或—CH═；R5是由下式表示的基：其中R6和R7各自独立地表示氢或有机基团；R6和R7可以与相邻的基团—XA—N—XB—一起形成环；XA和XB各自独立地表示键、低碳烷基等。
• Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation
  申请人：Matsumura Shuuji

  公开号：US08822453B2

  公开（公告）日：2014-09-02

  The present invention provides a novel diazepine compound that blocks the IKur current or the Kv1.5 channel potently and more selectively than other K+ channels. The present invention relates to a diazepine compound represented by General Formula (1) or a salt thereof, wherein R1, R2, R3, and R4 are each independently hydrogen, lower alkyl, cyclo lower alkyl or lower alkoxy lower alkyl; R2 and R3 may be linked to form lower alkylene; A1 is lower alkylene optionally substituted with one or more substituents selected from the group consisting of hydroxyl and oxo; Y1 and Y2 are each independently —N═ or —CH═; and R5 is group represented by wherein R6 and R7 are each independently hydrogen or organic group; R6 and R7 may be linked to form a ring together with the neighboring group —XA—N—XB—; XA and XB are each independently a bond, lower alkylene, etc.

  本发明提供了一种新型二氮杂烷化合物，可比其他K+通道更有效地和更选择性地阻断IKur电流或Kv1.5通道。本发明涉及一种由通式（1）表示的二氮杂烷化合物或其盐，其中R1、R2、R3和R4各自独立地为氢、低碳基、环低碳基或低烷氧基低碳基；R2和R3可以连接形成低碳烷基；A1是低碳烷基，可选地取代一个或多个取代基，所述取代基选择自羟基和氧代基；Y1和Y2各自独立地为—N═或—CH═；以及R5是由以下式子表示的基：其中R6和R7各自独立地为氢或有机基团；R6和R7可以与相邻的基团—XA—N—XB—一起形成环；XA和XB各自独立地为键、低碳烷基等。
• 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Bao Jianming

  公开号：US10329289B2

  公开（公告）日：2019-06-25

  The present invention is directed to 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-5-one compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

  本发明涉及 6,7-二氢-5H-吡咯并[3,4-b]吡啶-5-酮化合物，这些化合物是 M4 肌 肉碱乙酰胆碱受体的异构调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 肌卡因乙酰胆碱受体的神经和精神障碍及疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。