(2R,5S)-1-(3-fluorobenzyl)-2,5-dimethylpiperazine | 519058-23-2

• 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: (2R,5S)-1-(3-fluorobenzyl)-2,5-dimethylpiperazine
• 英文别名: (2R,5S)-1-(3-fluoro-benzyl)-2,5-dimethyl-piperazine；(2R,5S)-1-(3-flourobenzyl)-2,5-dimethylpiperazine；(2R,5S)-1-[(3-fluorophenyl)methyl]-2,5-dimethylpiperazine
• CAS: 519058-23-2
• 化学式: C₁₃H₁₉FN₂
• 分子量: 222.306
• InChiKey: CNYGRQSWMHECFW-WDEREUQCSA-N

物化性质

• 沸点：
  290.9±25.0 °C(Predicted)
• 密度：
  1.028±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R,5S)-1-(3-fluorobenzyl)-2,5-dimethylpiperazine 、 N-ethyl-4-formyl-N-(2-triethylsilanyloxy-ethyl)-benzamide 、 苯基氯化镁 在 T406石油添加剂 作用下， 以 甲苯 、 四氢呋喃 为溶剂， 反应 16.0h， 以83%的产率得到N-ethyl-4-{(S)-[(2S,5R)-4-(3-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl}-N-(2-triethylsilanyloxy-ethyl)-benzamide
  参考文献：
  名称：

  WO2006/113468

  摘要：

  公开号：

文献信息

• [EN] DELTA OPIOID AGONIST, MU OPIOID ANTAGONIST COMPOSITIONS AND METHODS FOR TREATING PARKINSON'S DISEASE<br/>[FR] COMPOSITIONS À BASE D'UN AGONISTE DU RÉCEPTEUR AUX OPIACÉS DELTA / ANTAGONISTE DU RÉCEPTEUR AUX OPIACÉS MU, ET PROCÉDÉS DE TRAITEMENT DE LA MALADIE DE PARKINSON
  申请人：VERSI GROUP LLC

  公开号：WO2017173067A1

  公开（公告）日：2017-10-05

  The present invention provides for compositions and methods for the treatment of Parkinson's disease comprising a compound of formula (i): or a pharmaceutically effective salt or ester thereof alone or in combination with L-DOPA to provide a synergistic effect, thereby providing methods of (1) treating patients with Parkinson's Disease for whom L-DOPA is no longer effective, (2) treating patients with Parkinson's Disease who developed dyskinesia due to L-DOPA, (3) treating patients with Parkinson's Disease who have are receiving deep brain stimulation and (4) treating patients with Parkinson's Disease whose symptoms interfere with activities of daily living.

  本发明提供了治疗帕金森病的组合物和方法，包括式（i）的化合物：或其药学有效的盐或酯，单独或与L-DOPA联合使用以提供协同作用，从而提供以下方法：（1）治疗L-DOPA不再有效的帕金森病患者，（2）治疗因L-DOPA而发生运动障碍的帕金森病患者，（3）治疗正在接受深部脑刺激的帕金森病患者，以及（4）治疗症状干扰日常生活的帕金森病患者。
• METHOD OF TREATING PARKINSON'S DISEASE WITH DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA RECEPTOR AGONIST ACTIVITY
  申请人：Chang Kwen-Jen

  公开号：US20070066625A1

  公开（公告）日：2007-03-22

  Compositions and methods for treatment of Parkinson's disease to reduce the negative side effects of the disease by administering a therapeutically effective diarylmethylpiperazine compound which exhibits delta opioid receptor agonist activity, and optionally, mu receptor antagonist activity.

  本发明涉及一种治疗帕金森病的组合物和方法，通过给予具有δ-阿片受体激动剂活性的治疗有效的二苯甲基哌嗪化合物来减轻疾病的负面副作用，可选地，还包括μ-阿片受体拮抗剂活性。
• Compositions of novel opioid compounds and method of use thereof
  申请人：Jan Shyi-Tai

  公开号：US20070043028A1

  公开（公告）日：2007-02-22

  Diarylmethylpiperazine compounds are described, which are useful as mu and/or delta receptor opioid compounds, without central side effects. Pharmaceutical compositions containing such compounds are variously useful for peripheral or non-centrally mediated indications, including peripherally mediated and neuropathic pain, urogenital tract disorders, overactive bladder, urinary incontinence, sexual disorders, premature ejaculation, cough, lung edema, cardiac disorders, cardioprotection, gastrointestinal disorders, diarrhea, irritable bowl syndrome, functional distention, immuno-modulation and anti-tumor activity.

  本文描述了二芳基甲基哌嗪类化合物，其可用作μ和/或δ受体阿片样化合物，而无中枢副作用。含有这种化合物的制药组合物在各种外周或非中枢介导的适应症中有用，包括外周介导和神经病理性疼痛，泌尿道障碍，过度活动膀胱，尿失禁，性功能障碍，早泄，咳嗽，肺水肿，心脏疾病，心脏保护，胃肠疾病，腹泻，肠易激综合征，功能性胀气，免疫调节和抗肿瘤活性。
• METHOD OF TREATING PARKINSON'S DISEASE WITH A DIARYLMETHYLPIPERAZINE COMPOUNDS EXHIBITING DELTA OPIOID RECEPTOR AGONIST ACTIVITY
  申请人：CHANG KWEN-JEN

  公开号：US20140315922A1

  公开（公告）日：2014-10-23

  Compositions and methods for treatment of Parkinson's disease to reduce the negative side effects of the disease by administering a therapeutically effective diarylmethylpiperazine compound which exhibits delta opioid receptor agonist activity, and optionally, mu receptor antagonist activity.

  本发明涉及一种治疗帕金森病的组合物和方法，通过给予一种具有δ阿片受体激动剂活性的治疗有效的二芳基甲基哌嗪化合物，来减少疾病的负面副作用，可选地，该化合物还具有μ阿片受体拮抗剂活性。
• Method of treating Parkinson's Disease with a diarylmethylpiperazine compounds exhibiting delta opioid receptor agonist activity
  申请人：VERSI GROUP, LLC

  公开号：US10071093B2

  公开（公告）日：2018-09-11

  Compositions and methods for treatment of Parkinson's disease to reduce the negative side effects of the disease by administering a therapeutically effective diarylmethylpiperazine compound which exhibits delta opioid receptor agonist activity, and optionally, mu receptor antagonist activity.

  用于治疗帕金森病的组合物和方法，通过施用具有治疗效果的二芳基甲基哌嗪化合物来减少帕金森病的负面副作用，该化合物具有δ阿片受体激动剂活性，并可选择具有μ受体拮抗剂活性。