1-(2-异丙基苯基)哌嗪 | 119695-82-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(2-异丙基苯基)哌嗪
• 英文名称: 1-[2-(methylethyl)phenyl]piperazine
• 英文别名: 1-(2-(1-methylethyl)phenyl)piperazine；1-(2-Isopropyl-phenyl)-piperazine；1-(2-isopropylphenyl)-piperazine；1-(2-isopropylphenyl)piperazine；N-(2-isopropylphenyl)piperazine；1-(2-propan-2-ylphenyl)piperazine
• CAS: 119695-82-8
• 化学式: C₁₃H₂₀N₂
• mdl: MFCD05182253
• 分子量: 204.315
• InChiKey: JQQVFOBGUYOMQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 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-(2-异丙基苯基)哌嗪 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 3-[4-(2-Propan-2-ylphenyl)piperazin-1-yl]propan-1-amine
  参考文献：
  名称：

  N-Arylpiperazinyl-N‘-propylamino Derivatives of Heteroaryl Amides as Functional Uroselective α₁-Adrenoceptor Antagonists

  摘要：

  Novel arylpiperazines were identified as alpha(1)-adrenoceptor(BR) subtype-selective antagonists by functional in vitro screening. 3-[4-(ortho-Substituted phenyl)piperazin-1-yl]propylamines were derivatized with N,N-dimethyl anthranilamides, nicotinamides,;as well as carboxamides of quinoline, I,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4-b]pyridine, imidazo[4,5-b]pyridine, and pyrazolo[1,5-a]pyrimidines. Strips of rabbit bladder neck were employed as a predictive assay for antagonism in the human lower tract. Rings of rat aorta;a were used as a ''negative screen'' for the test antagonists. Binding to alpha(1)-ARs was relatively sensitive to size and electronic features of the arylpiperazine portion of the antagonists and permissive to these features on the heteroaryl carboxamide side. These structure-affinity findings were exploited to produce nicotinamides (e.g, 13ii and 25x) and pyrazolo[3,4-b]pyridines (e.g. 37f and 37y) ligands with nanomolar affinity at the alpha(1)-AR subtype prevalent in the human lower urinary tract (pA(2) values: 8.8, 10.7, 9.3, and 9.9, respectively) and displaying 2-3 orders of magnitude selectivity over the alpha(1D)-AR.

  DOI：

  10.1021/jm970166j
• 作为产物：
  描述：

  1-[2-(Propan-2-yl)phenyl]piperazine hydrochloride 在 sodium carbonate 作用下， 生成 1-(2-异丙基苯基)哌嗪
  参考文献：
  名称：

  Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold

  摘要：

  Previously, we identified 1-(2-(4-bromophenoxy) ethoxy)-3-(4-(2-methoxyphenyl) piperazin-1-yl) propan- 2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.070

文献信息

• Practical Method for Parallel Synthesis of Diversely Substituted 1- henylpiperazines
  作者：Igor Konstantinov、Konstantin Bukhryakov、Yuri Gezentsvey、Mikhail Krasavin

  DOI：10.2174/157017811799304386

  日期：2011.11.1

  A simple and practical method to prepare ‘libraries’ of substituted 1-phenylpiperazine building blocks in parallel format has been developed.

  已经开发出一种简单实用的方法，用于制备以替代1-苯基哌嗪构建块为内容的“库”，采用并行格式。
• 1-[[5-[[4-substituted-1-piperazinyl]methyl]-pyrrol-2-yl or
  申请人：McNeilab, Inc.

  公开号：US04992441A1

  公开（公告）日：1991-02-12

  Mannich bases of the formula (I): ##STR1## where X is oxygen or NR.sup.2, Alk is divalent alkyl, R.sup.1 is an aromatic ring, R.sup.2 is a substituent and the salts thereof. Useful as antipsychotic agents in man to be used in a manner similar to chlorpromazine.

  Mannich bases of the formula (I): ##STR1## where X is oxygen or NR.sup.2, Alk is divalent alkyl, R.sup.1 is an aromatic ring, R.sup.2 is a substituent and the salts thereof. Useful as antipsychotic agents in man to be used in a manner similar to chlorpromazine. 公式（I）的Mannich碱：##STR1## 其中X是氧或NR.sup.2，Alk是二价烷基，R.sup.1是芳香环，R.sup.2是取代基及其盐。在人类中作为抗精神病药物，可类似于氯丙嗪使用。
• PHOSPHONIUM ION CHANNEL BLOCKERS AND METHODS FOR USE
  申请人：Nocion Therapeutics, Inc.

  公开号：US20210128589A1

  公开（公告）日：2021-05-06

  The invention provides compounds of Formula (I), or pharmaceutically acceptable salts thereof: The compounds, compositions, methods and kits of the invention are useful for the treatment of pain, itch, and neurogenic inflammation.

  本发明提供了式(I)的化合物，或其药用可接受的盐： 本发明的化合物、组合物、方法和试剂盒可用于治疗疼痛、瘙痒和神经性炎症。
• [EN] BCL-2 INHIBITOR<br/>[FR] INHIBITEUR DE BCL -2
  申请人：BEIGENE LTD

  公开号：WO2021208963A1

  公开（公告）日：2021-10-21

  Disclosed herein is a compound of Formula (I) for inhibiting both Bcl-2 wild type and mutated Bcl-2, in particular, Bcl-2 G101V and D103Y, and a method of using the compound disclosed herein for treating dysregulated apoptotic diseases.

  本文披露了一种用于抑制Bcl-2野生型和突变型Bcl-2（特别是Bcl-2 G101V和D103Y）的化合物（I）以及使用本文披露的该化合物治疗失调的凋亡性疾病的方法。
• [EN] NOVEL SIGMA-2 RECEPTOR BINDERS AND THEIR METHOD OF USE<br/>[FR] NOUVEAUX LIANTS DES RÉCEPTEURS SIGMA 2 ET LEUR PROCÉDÉ D'UTILISATION
  申请人：TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION

  公开号：WO2016183150A1

  公开（公告）日：2016-11-17

  Pharmaceutical compositions of the invention comprise functionalized lactone derivatives having a disease-modifying action in the treatment of diseases associated with dysregulation of sigma-2 receptor activity.

  本发明的药物组合物包括具有疾病修饰作用的功能化内酯衍生物，在治疗与σ-2受体活性失调相关的疾病中发挥作用。