2,2,6,6-tetramethyl-4-(prop-2-ynylamino)-piperidone nitroxide | 875018-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2,2,6,6-tetramethyl-4-(prop-2-ynylamino)-piperidone nitroxide
• 英文别名: 4-(prop-2-yn-1-ylamino)-2,2,6,6-tetramethylpiperidin-1-oxyl；2,2,6,6-tetramethyl-4-(prop-2-ynylamino)-piperidine nitroxide
• CAS: 875018-34-1
• 化学式: C₁₂H₂₁N₂O
• 分子量: 209.312
• InChiKey: FUWBLNIZYUKRKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  16.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,6,6-tetramethyl-4-(prop-2-ynylamino)-piperidone nitroxide 在 sodium tetrahydroborate 、 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 甲醇 、 水 、 叔丁醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Synthesis of a spin-labeled anti-estrogen as a dynamic motion probe for the estrogen receptor ligand binding domain

  摘要：

  The preparation and characterization of a novel nitroxide spin probe based on a steroidal anti-estrogen is described. The probe 5 demonstrated very high binding affinity for both the alpha and beta isoforms of the estrogen receptor-ligand binding domain. EPR spectrometric studies demonstrate conformational constraints for the ligand, consistent with the nitroxyl moiety occupying a position just beyond the receptor-solvent interface. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.091
• 作为产物：
  描述：

  4-氧-2,2,6,6-四甲基哌啶-1-氧自由基 在 溶剂黄146 、 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 72.0h， 以80%的产率得到2,2,6,6-tetramethyl-4-(prop-2-ynylamino)-piperidone nitroxide
  参考文献：
  名称：

  [EN] STEROIDAL ANTI-HORMONE HYBRIDS
  [FR] HYBRIDES ANTI-HORMONAUX STÉROÏDIENS

  摘要：

  披露了新颖的化合物和组合物，用于抑制雄激素和雌激素受体信号传导，抑制雄激素信号传导的方法，抑制雌激素信号传导的方法，抑制共调节蛋白与雄激素或雌激素受体之间相互作用的方法，以及治疗癌症的方法。

  公开号：

  WO2010085747A1

文献信息

• Propargyl nitroxides and indanyl nitroxides and their use for the treatment of neurologic diseases and disorders
  申请人：Sterling Jeffrey

  公开号：US20060025446A1

  公开（公告）日：2006-02-02

  Disclosed are compounds having the structure: wherein Z is —OH or —O•; and A is: wherein X and Y are independently NR 1 or O, where R 1 is H or C 1 -C 4 alkyl; and R 2 is H, C 1 -C 4 alkyl or t-butoxycarbonyl, wherein W is C 3 -C 4 alkynyl; and R 1 is H or C 1 -C 4 alkyl, or wherein R 1 is H, C 1 -C 4 alkyl, or C 3 -C 4 alkynyl; and R 3 is H, OH, O(C 1 -C 4 alkyl), or a halogen, optically active enantiomers, pharmaceutically acceptable salts of the compounds, pharmaceutical compositions containing such compounds or salts, and processes for their preparation. The subject invention also provides methods of alleviating symptoms of neurologic, autoimmune, and inflammatory disorders caused by the presence of reactive oxygen species, methods of preventing oxidation of lipids, proteins, or deoxyribonucleic acids on a cellular level, and methods of protecting human red blood cells from lysis by O 2 radicals.

  本公开涉及具有以下结构的化合物：其中Z为—OH或—O•；以及A为：其中X和Y分别为NR1或O，其中R1为H或C1-C4烷基；以及R2为H、C1-C4烷基或叔丁氧羰基，其中W为C3-C4炔基；R1为H或C1-C4烷基，或其中R1为H、C1-C4烷基或C3-C4炔基；以及R3为H、OH、O（C1-C4烷基）或卤素，光学活性对映异构体，化合物的药学可接受盐，含有这种化合物或盐的制药组合物，以及其制备方法。本发明还提供了缓解由于活性氧物种存在而引起的神经、自身免疫和炎症性疾病症状的方法，以及在细胞水平上防止脂质、蛋白质或脱氧核糖核酸的氧化的方法，以及保护人类红细胞免受O2自由基溶解的方法。
• Nitroxide biradicals as thread units in paramagnetic cucurbituril-based rotaxanes
  作者：Elisabetta Mileo、Costanza Casati、Paola Franchi、Elisabetta Mezzina、Marco Lucarini

  DOI：10.1039/c0ob01160f

  日期：——

  The first example of paramagnetic rotaxane containing cucurbit[6]urils has been reported and characterized both by ESR and NMR spectroscopy.

  首次报道了含有葫芦[6]脲的顺磁性轮烷，并通过 ESR 和 NMR 光谱对其进行了表征。
• Enzyme-Inspired Functional Surfactant for Aerobic Oxidation of Activated Alcohols to Aldehydes in Water
  作者：Ba-Tian Chen、Konstantin V. Bukhryakov、Rachid Sougrat、Valentin O. Rodionov

  DOI：10.1021/cs5020018

  日期：2015.2.6

  We describe an enzyme-inspired catalytic system based on a rationally designed multifunctional amphiphile. The resulting micelles feature metal-binding sites and stable free radical moieties as well as fluorous pockets that attract and preconcentrate molecular oxygen. In the presence of copper ions, the micelles effect chemoselective aerobic alcohol oxidation under ambient conditions in water, a transformation that is challenging to achieve nonenzymatically.
• A General Approach to Creating Soluble Catalytic Polymers Heterogenized in Microcapsules
  作者：Brian P. Mason、Andrew R. Bogdan、Anandarup Goswami、D. Tyler McQuade

  DOI：10.1021/ol071360v

  日期：2007.8.1

  A general method for preparing site-isolated polymeric catalysts is presented. Linear chloromethyl and azide polymers have been sequestered within polyurea microcapsules and small molecule catalysts soaked through the shell walls to functionalize the soluble polymers. Reaction onto each type of support is quantitative and MacMillan, DMAP, and TEMPO test catalysts are shown to have faster reaction rates than the analogous resin-supported catalysts.
• [EN] PROPARGYL NITROXYDES AND INDANYL NITROXIDES AND THEIR USE FOR THE TREATMENT OF NEUROLOGIC DISEASES AND DISORDERS<br/>[FR] NITROXYDES PROPARGYLE ET NITROXYDES INDANYLE ET LEUR UTILISATION POUR TRAITER LES MALADIES ET LES TROUBLES NEUROLOGIQUES
  申请人：TEVA PHARMA

  公开号：WO2006014968A3

  公开（公告）日：2006-11-09