1-(3,3-Diphenylpropyl)piperidin-4-ol | 1034094-04-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3,3-Diphenylpropyl)piperidin-4-ol
• CAS: 1034094-04-6
• 化学式: C₂₀H₂₅NO
• 分子量: 295.425
• InChiKey: BNCZJZAKVWVCRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-羟基哌啶 、 1,3-二氢-1-（1,2,3,6-四氢-4-吡啶基）-2氢苯咪唑-2-酮 在 N,N-二异丙基乙胺 作用下， 反应 1.33h， 以58%的产率得到1-(3,3-Diphenylpropyl)piperidin-4-ol
  参考文献：
  名称：

  Structure–activity relationship exploration of Kv1.3 blockers based on diphenoxylate

  摘要：

  Diphenoxylate, a well-known opioid agonist and anti-diarrhoeal agent, was recently found to block Kv1.3 potassium channels, which have been proposed as potential therapeutic targets for a range of autoimmune diseases. The molecular basis for this Kv1.3 blockade was assessed by the selective removal of functional groups from the structure of diphenoxylate as well as a number of other structural variations. Removal of the nitrile functional group and replacement of the C-4 piperidinyl substituents resulted in several compounds with submicromolar IC50 values. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.080

文献信息

• RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO
  申请人：GE Healthcare Limited

  公开号：EP2125038B1

  公开（公告）日：2012-05-02
• IN VIVO IMAGING AGENTS
  申请人：Storey Anthony Eamon

  公开号：US20110129419A1

  公开（公告）日：2011-06-02

  The present invention relates to the field of medical imaging, and in particular to imaging of disease states associated with the upregulation of the chemokine receptor 5 (CCR5). Imaging agents, precursors and methods are provided which are useful in imaging such disease states.
• [EN] IN VIVO IMAGING AGENTS<br/>[FR] AGENTS D'IMAGERIE IN VIVO
  申请人：GE HEALTHCARE LTD

  公开号：WO2008075040A2

  公开（公告）日：2008-06-26

  [EN] The present invention relates to the field of medical imaging, and in particular to imaging of disease states associated with the upregulation of the chemokine receptor 5 (CCR5). Imaging agents, precursors and methods are provided which are useful in imaging such disease states.
  [FR] La présente invention concerne le domaine de l'imagerie médicale, et notamment l'imagerie de pathologies associées à la régulation à la hausse du récepteur de chimiokine 5 (CCR5). L'invention concerne également des agents d'imagerie, des précurseurs et des méthodes utiles dans l'imagerie de ces pathologies.
• Structure–activity relationship exploration of Kv1.3 blockers based on diphenoxylate
  作者：William Nguyen、Brittany L. Howard、David P. Jenkins、Heike Wulff、Philip E. Thompson、David T. Manallack

  DOI：10.1016/j.bmcl.2012.09.080

  日期：2012.12

  Diphenoxylate, a well-known opioid agonist and anti-diarrhoeal agent, was recently found to block Kv1.3 potassium channels, which have been proposed as potential therapeutic targets for a range of autoimmune diseases. The molecular basis for this Kv1.3 blockade was assessed by the selective removal of functional groups from the structure of diphenoxylate as well as a number of other structural variations. Removal of the nitrile functional group and replacement of the C-4 piperidinyl substituents resulted in several compounds with submicromolar IC50 values. (C) 2012 Elsevier Ltd. All rights reserved.