1-cyclooctyl-N-phenylpiperidin-4-amine | 1437759-72-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-cyclooctyl-N-phenylpiperidin-4-amine
• CAS: 1437759-72-2
• 化学式: C₁₉H₃₀N₂
• 分子量: 286.461
• InChiKey: ZPLYKNIHZUATDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-cyclooctyl-N-phenylpiperidin-4-amine 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2-chloro-N-(1-cyclooctylpiperidin-4-yl)-N-phenylpropanamide
  参考文献：
  名称：

  Designing bifunctional NOP receptor–mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I.

  摘要：

  The nociceptin receptor (NOP) and its endogenous agonist, nociceptin/orphanin FQ (N/OFQ), members of the opioid receptor and peptide families respectively, modulate the pharmacological effects of classical opioids, particularly opioid-induced reward and nociception. We hypothesized that compounds containing both NOP and opioid receptor activity in a single molecule may have useful pharmacological profiles as non-addicting analgesics or as drug abuse medications. We report here our forays into the structureactivity relationships for discovering 'bifunctional' NOP-mu opioid receptor (MOP) ligands, starting from our NOP-selective scaffolds. This initial SAR suggests pharmacophoric elements that may be modified to modulate/increase opioid affinity, while maintaining high affinity for the NOP receptor, to result in potent bifunctional small-molecule NOP/MOP ligands. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.101
• 作为产物：
  描述：

  苯胺 、 1-环辛基哌啶-4-酮 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 1-cyclooctyl-N-phenylpiperidin-4-amine
  参考文献：
  名称：

  Designing bifunctional NOP receptor–mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I.

  摘要：

  The nociceptin receptor (NOP) and its endogenous agonist, nociceptin/orphanin FQ (N/OFQ), members of the opioid receptor and peptide families respectively, modulate the pharmacological effects of classical opioids, particularly opioid-induced reward and nociception. We hypothesized that compounds containing both NOP and opioid receptor activity in a single molecule may have useful pharmacological profiles as non-addicting analgesics or as drug abuse medications. We report here our forays into the structureactivity relationships for discovering 'bifunctional' NOP-mu opioid receptor (MOP) ligands, starting from our NOP-selective scaffolds. This initial SAR suggests pharmacophoric elements that may be modified to modulate/increase opioid affinity, while maintaining high affinity for the NOP receptor, to result in potent bifunctional small-molecule NOP/MOP ligands. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.101

文献信息

• [EN] SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TYPE PIPÉRIDINE-4-AMINO SUBSTITUÉE ET LEURS UTILISATIONS
  申请人：PURDUE PHARMA LP

  公开号：WO2014102590A1

  公开（公告）日：2014-07-03

  The disclosure relates to Substituted Piperidin-4-amino-Type Compounds of Formula (I) and pharmaceutically acceptable salts and solvates thereof wherein R1, R2, R3, Q1, Q2, E1, E2, A, B, D, W, Z, a, b, n, and x are as defined herein, compositions comprising an effective amount of a Substituted Piperidin-4-amino-Type Compound, and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of a Substituted Piperidin-4-amino-Type Compound.

  本发明涉及式(I)的取代哌啶-4-氨基型化合物及其药物可接受的盐和溶剂化物，其中R1，R2，R3，Q1，Q2，E1，E2，A，B，D，W，Z，a，b，n和x按本文定义，包含有效量的取代哌啶-4-氨基型化合物的组合物，以及治疗或预防诸如疼痛等症状的方法，包括向需要的动物施用有效量的取代哌啶-4-氨基型化合物。
• SUBSTITUTED PIPERIDIN-4-AMINO-TYPE COMPOUNDS AND USES THEREOF
  申请人：BROWN Kevin

  公开号：US20160272640A1

  公开（公告）日：2016-09-22

  The disclosure relates to Substituted Piperidin-4-amino-Type Compounds of Formula (I) and pharmaceutically acceptable salts and solvates thereof wherein R 1 , R 2 , R 3 , Q 1 , Q 2 , E 1 , E 2 , A, B, D, W, Z, a, b, n, and x are as defined herein, compositions comprising an effective amount of a Substituted Piperidin-4-amino-Type Compound, and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of a Substituted Piperidin-4-amino-Type Compound.
• Designing bifunctional NOP receptor–mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I.
  作者：Nurulain T. Zaveri、Faming Jiang、Cris Olsen、Willma E. Polgar、Lawrence Toll

  DOI：10.1016/j.bmcl.2013.03.101

  日期：2013.6

  The nociceptin receptor (NOP) and its endogenous agonist, nociceptin/orphanin FQ (N/OFQ), members of the opioid receptor and peptide families respectively, modulate the pharmacological effects of classical opioids, particularly opioid-induced reward and nociception. We hypothesized that compounds containing both NOP and opioid receptor activity in a single molecule may have useful pharmacological profiles as non-addicting analgesics or as drug abuse medications. We report here our forays into the structureactivity relationships for discovering 'bifunctional' NOP-mu opioid receptor (MOP) ligands, starting from our NOP-selective scaffolds. This initial SAR suggests pharmacophoric elements that may be modified to modulate/increase opioid affinity, while maintaining high affinity for the NOP receptor, to result in potent bifunctional small-molecule NOP/MOP ligands. (C) 2013 Elsevier Ltd. All rights reserved.