(+/-)-m-Nitrobiphenyline | 852629-68-6

• 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: (+/-)-m-Nitrobiphenyline
• 英文别名: 2-[1-(3'-nitrobiphenyl-2-yloxy)ethyl]-4,5-dihydro-1H-imidazole；2-[1-[2-(3-nitrophenyl)phenoxy]ethyl]-4,5-dihydro-1H-imidazole
• CAS: 852629-68-6
• 化学式: C₁₇H₁₇N₃O₃
• 分子量: 311.34
• InChiKey: NMSAVNXFCXMJJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-)-m-Nitrobiphenyline 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、310.26 kPa 条件下， 反应 6.0h， 生成 3-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]phenyl]aniline
  参考文献：
  名称：

  α₂-Adrenoreceptors Profile Modulation. 2. Biphenyline Analogues as Tools for Selective Activation of the α_2C-Subtype

  摘要：

  A series of derivatives structurally related to biphenyline (3) was designed with the aim to modulate selectivity toward the alpha(2)-AR subtypes. The results obtained demonstrated that the presence of a correctly oriented function with positive electronic effect (+sigma) in portion X of the ligands is an important factor for significant alpha(2C)-subtype selectivity (imidazolines 5, 13, 16, and 19). Homology modeling and docking studies support experimental data and highlight the crucial role for the hydrogen bond between the pyridine nitrogen in. position 3 of 5 and the NH-indole ring of Trp6.48, which is favorably oriented in the alpha(2C)-subtype, only.

  DOI：

  10.1021/jm0408215
• 作为产物：
  描述：

  3-硝基苯硼酸 在 四(三苯基膦)钯 、 sodium methylate 、 sodium carbonate 作用下， 以 甲醇 、 乙二醇二甲醚 为溶剂， 反应 110.0h， 生成 (+/-)-m-Nitrobiphenyline
  参考文献：
  名称：

  α₂-Adrenoreceptors Profile Modulation. 2. Biphenyline Analogues as Tools for Selective Activation of the α_2C-Subtype

  摘要：

  A series of derivatives structurally related to biphenyline (3) was designed with the aim to modulate selectivity toward the alpha(2)-AR subtypes. The results obtained demonstrated that the presence of a correctly oriented function with positive electronic effect (+sigma) in portion X of the ligands is an important factor for significant alpha(2C)-subtype selectivity (imidazolines 5, 13, 16, and 19). Homology modeling and docking studies support experimental data and highlight the crucial role for the hydrogen bond between the pyridine nitrogen in. position 3 of 5 and the NH-indole ring of Trp6.48, which is favorably oriented in the alpha(2C)-subtype, only.

  DOI：

  10.1021/jm0408215

文献信息

• GEL COMPOSITIONS OF OXYMETAZOLINE AND METHODS OF USE
  申请人：Shanler Stuart D.

  公开号：US20130079379A1

  公开（公告）日：2013-03-28

  Embodiments relating to gels comprising imidazoline alpha agonists, such as, without limitation, oxymetazoline or a pharmaceutically acceptable salt thereof, and methods for treating diseases, such as, without limitation, rosacea, including, for example, erythematotelangiectatic rosacea, papulopustular rosacea, phymatous rosacea, ocular rosacea or combinations thereof; and symptoms associated with rosacea, including, for example, papules, pustules, phymas (skin thickening), telangiectasias or erythema or redness associated with rosacea, other skin erythemas, telangiectasias, purpura or the like, and other manifestations associated therewith or combinations thereof using such gels are described herein.

  本文描述了涵盖咪唑啉α激动剂的凝胶实施例，例如，但不限于甲醛唑啉或其药学上可接受的盐，并且描述了用这样的凝胶治疗疾病的方法，例如，但不限于酒渣鼻，包括红斑毛细血管扩张型酒渣鼻、丘疹脓疱型酒渣鼻、皮肤增厚型酒渣鼻、眼部酒渣鼻或其组合；以及与酒渣鼻相关的症状，例如丘疹、脓疱、酒渣鼻（皮肤增厚）、毛细血管扩张或与酒渣鼻相关的红斑或红色症状，其他皮肤红斑、毛细血管扩张、紫斑或类似症状以及与之相关的其他表现或其组合。
• Pharmacological stimulation to facilitate and restore standing and walking functions in spinal cord disorders
  申请人：Ecole Polytechnique Fédérale de Lausanne (EPFL)

  公开号：EP2821072A1

  公开（公告）日：2015-01-07

  The invention relates to the selective targeting of specific α2 adrenergic receptor subtypes for facilitating and also restoring standing and walking in a subject affected by spinal cord disorders, in particular spinal cord injury. In particular, the improvement of locomotion by targeting specific receptor subtypes can be achieved by stimulation of the α2c receptor subtype using an α2c specific agonist or by blocking the α2a receptor subtype using α2a antagonists. A combination of an α2c agonist and an α2a antagonist is also provided for a synergistic effect. Alternatively, an unspecific α2 agonist can be used in combination with an α2a antagonist to achieve specific stimulation of the α2c receptor. Pharmaceutical compositions and kit-of-parts comprising said agonists/antagonists as active agents are objects of the present invention. A robotic interface and epidural electric stimulation can also be used in combination with the compositions of the invention for restoring voluntary control of locomotion.

  本发明涉及选择性靶向特定α2肾上腺素能受体亚型，以促进和恢复受脊髓疾病（尤其是脊髓损伤）影响的患者的站立和行走。特别是，通过使用α2c特异性激动剂刺激α2c受体亚型，或使用α2a拮抗剂阻断α2a受体亚型，可针对特定受体亚型改善运动能力。α2c激动剂和α2a拮抗剂的组合也可产生协同效应。另外，非特异性的 α2 激动剂也可与α2a 拮抗剂结合使用，以实现对 α2c 受体的特异性刺激。包含上述激动剂/拮抗剂作为活性剂的药物组合物和部件包是本发明的目的。机器人接口和硬膜外电刺激也可与本发明的组合物结合使用，以恢复对运动的自主控制。
• Pharmacological stimulation to facilitate and restore standing and walking functions in spinal cord motor disorders
  申请人：ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL)

  公开号：US10632105B2

  公开（公告）日：2020-04-28

  The invention relates to the selective targeting of specific α2 adrenergic receptor subtypes for facilitating and also restoring standing and walking in a subject affected by spinal cord disorders, in particular spinal cord injury. In particular, the improvement of locomotion by targeting specific receptor subtypes can be achieved by stimulation of the α2c receptor subtype using an α2c specific agonist or by blocking the α2a receptor subtype using α2a antagonists. A combination of an α2c agonist and an α2a antagonist is also provided for a synergistic effect. Alternatively, a large α2 agonist can be used in combination with an α2a antagonist to achieve specific stimulation of the α2c receptor. Pharmaceutical compositions, kit-of-parts and therapeutic systems comprising said agonists/antagonists as active agents are objects of the present invention. A robotic interface and epidural electric stimulation can also be used in combination with the compositions of the invention for restoring voluntary control of locomotion.

  本发明涉及选择性靶向特定α2肾上腺素能受体亚型，以促进和恢复受脊髓疾病（尤其是脊髓损伤）影响的患者的站立和行走。特别是，通过使用α2c特异性激动剂刺激α2c受体亚型，或使用α2a拮抗剂阻断α2a受体亚型，可针对特定受体亚型改善运动能力。α2c受体激动剂和α2a受体拮抗剂的组合也可产生协同效应。另外，也可将一种大型 α2 激动剂与 α2a 拮抗剂结合使用，以实现对 α2c 受体的特异性刺激。包含上述激动剂/拮抗剂作为活性剂的药物组合物、部件包和治疗系统是本发明的目的。机器人接口和硬膜外电刺激也可与本发明的组合物结合使用，以恢复对运动的自主控制。
• Use of flecainide as an anti-connexin agent and method for potentiating the effects of a psychotropic drug
  申请人：Commissariat a L'Energie Atomique et Aux Energies Alternatives

  公开号：US10639301B2

  公开（公告）日：2020-05-05

  The present invention relates to the use of flecainide as an anti-connexin agent. This anti-connexin agent is advantageously used to potentiate the therapeutic effect of various psychotropic drugs. More specifically, the invention provides a combination product containing flecainide and modafinil.

  本发明涉及福来西尼作为抗附件素药物的用途。这种抗连接蛋白剂可用于增强各种精神药物的治疗效果。更具体地说，本发明提供了一种含有非卡尼和莫达非尼的组合产品。
• Dueling bandits algorithm for neuromodulation therapy
  申请人：California Institute of Technology

  公开号：US10821285B2

  公开（公告）日：2020-11-03

  A system, method, and apparatus for identifying optimal or near optimal complex stimulation waveforms for a neurostimulator device or neuromodulation device are disclosed. An example method includes using a dueling bandits algorithm with correlation among stimulation arms to select a batch of stimulation arms for sequential application to a patient during a therapy session. Each of the stimulation arms specifies complex stimulation waveform parameter values. Feedback from applying the stimulation arms to the patient is recorded and used to update feedback reward values corresponding to at least some of the stimulation arms using a stimulation arm correlation index. A second batch of stimulations arms is selected based upon the updated feedback reward values and applied to a patient. The method is iteratively repeated over a number of therapy sessions until an optimal or near optimal batch of stimulation arms (defining complex stimulation waveforms) is determined.

  本发明公开了一种用于识别神经刺激器设备或神经调控设备的最佳或接近最佳复合刺激波形的系统、方法和装置。一种示例方法包括使用刺激臂之间具有相关性的决斗匪帮算法，选择一批刺激臂，以便在治疗过程中按顺序应用于患者。每个刺激臂指定复杂的刺激波形参数值。记录对患者施加刺激臂后得到的反馈，并利用刺激臂相关指数更新与至少部分刺激臂相对应的反馈奖励值。根据更新后的反馈奖励值选择第二批刺激臂并应用于患者。该方法在多次治疗过程中反复进行，直到确定最佳或接近最佳的一批刺激臂（定义复杂刺激波形）。