5-[2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole | 1181802-05-0

• 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: 5-[2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole
• 英文别名: 5-[2-(oxan-4-ylmethyl)piperazin-1-yl]-1H-indazole
• CAS: 1181802-05-0
• 化学式: C₁₇H₂₄N₄O
• 分子量: 300.404
• InChiKey: ZJJWZZFPUVRGQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  53.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-[2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole 在 chiral SCF HPLC 作用下， 生成 (S)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole 、 (R)-5-(2-((tetrahydro-2H-pyran-4-yl)methyl)piperazin-1-yl)-1H-indazole
  参考文献：
  名称：

  2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression

  摘要：

  Recently a class of compounds known as triple reuptake inhibitors has emerged as a new strategy for the treatment of depression. These compounds work by simultaneously inhibiting the synaptic reuptake of serotonin, norepinephrine and dopamine. In this Letter we describe the optimization of a novel series of 2-substituted N-aryl piperazine based triple reuptake inhibitors. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.008
• 作为产物：
  描述：

  5-[4-benzyl-2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole 在 palladium dihydroxide 甲酸铵 作用下， 以 甲醇 为溶剂， 反应 1.0h， 以62%的产率得到5-[2-(tetrahydro-pyran-4-ylmethyl)-piperazin-1-yl]-1H-indazole
  参考文献：
  名称：

  Arylpiperazine derivatives and uses thereof

  摘要：

  提供的化合物公式为：或其药物上可接受的盐，其中Ar，R1，R2，R3和R4如本文所定义。还提供了制药组合物、使用方法和制备该化合物的方法。

  公开号：

  US20090209553A1

文献信息

• Arylpiperazine derivatives and uses thereof
  申请人：Carter David Scott

  公开号：US20090209553A1

  公开（公告）日：2009-08-20

  Compounds of the formula: or pharmaceutically acceptable salts thereof, wherein Ar, R 1 , R 2 , R 3 and R 4 are as defined herein. Also provided are pharmaceutical compositions, methods of using, and methods of preparing the compounds.

  提供的化合物公式为：或其药物上可接受的盐，其中Ar，R1，R2，R3和R4如本文所定义。还提供了制药组合物、使用方法和制备该化合物的方法。
• 3-ALKYL-PIPERAZINE DERIVATIVES AND USES THEREOF
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2254884B1

  公开（公告）日：2013-05-01
• US7998963B2
  申请人：——

  公开号：US7998963B2

  公开（公告）日：2011-08-16
• [EN] 3-ALKYL-PIPERAZINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE 3-ALKYL-PIPÉRAZINE ET LEURS UTILISATIONS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009101018A2

  公开（公告）日：2009-08-20

  Compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein Ar, R1, R2, R3 and R4 are as defined herein. Also provided are pharmaceutical compositions, methods of using, and methods of preparing the compounds.
• 2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression
  作者：David S. Carter、Hai-Ying Cai、Eun Kyung Lee、Pravin S. Iyer、Matthew C. Lucas、Ralf Roetz、Ryan C. Schoenfeld、Robert J. Weikert

  DOI：10.1016/j.bmcl.2010.05.008

  日期：2010.7

  Recently a class of compounds known as triple reuptake inhibitors has emerged as a new strategy for the treatment of depression. These compounds work by simultaneously inhibiting the synaptic reuptake of serotonin, norepinephrine and dopamine. In this Letter we describe the optimization of a novel series of 2-substituted N-aryl piperazine based triple reuptake inhibitors. (c) 2010 Elsevier Ltd. All rights reserved.