环苯扎林 N-氧化物 | 6682-26-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 中文名称: 环苯扎林 N-氧化物
• 中文别名: 环苯扎林N-氧化物
• 英文名称: cyclobenzaprine N-oxide
• 英文别名: Δ¹⁰-Amitriptylin-N-oxid；N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine oxide
• CAS: 6682-26-4
• 化学式: C₂₀H₂₁NO
• 分子量: 291.393
• InChiKey: CWVULMRJHWMZLY-UHFFFAOYSA-N

物化性质

• 熔点：
  106-108°C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  18.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  环苯扎林 N-氧化物 在 sodium tetrahydroborate 作用下， 以 水 为溶剂， 以92%的产率得到环苯扎林
  参考文献：
  名称：

  A chemoselective deoxygenation of N-oxides by sodium borohydride–Raney nickel in water

  摘要：

  A simple and convenient protocol for deoxygenation of aliphatic and aromatic N-oxides to the corresponding amines in good to excellent yield using sodium borohydride-Raney nickel in water is reported. Other functional moieties such as alkenes, halides, ethers, and amides are unaffected under the present reaction condition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.045
• 作为产物：
  描述：

  环苯扎林 在 双氧水 作用下， 以 甲醇 为溶剂， 反应 168.0h， 生成 环苯扎林 N-氧化物
  参考文献：
  名称：

  A chemoselective deoxygenation of N-oxides by sodium borohydride–Raney nickel in water

  摘要：

  A simple and convenient protocol for deoxygenation of aliphatic and aromatic N-oxides to the corresponding amines in good to excellent yield using sodium borohydride-Raney nickel in water is reported. Other functional moieties such as alkenes, halides, ethers, and amides are unaffected under the present reaction condition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.045

文献信息

• Methods and compositions for treating fatigue associated with disordered sleep using very low dose cyclobenzaprine
  申请人：Tonix Pharma Holdings Limited

  公开号：US10722478B2

  公开（公告）日：2020-07-28

  The present invention relates to methods for the treatment or prevention of fatigue associated with disordered sleep, for example, in multiple sclerosis, fibromyalgia, Fabry's disease, Parkinson's disease, or traumatic brain injury, using cyclobenzaprine. The present invention further relates to a biomarker for the therapeutic effects of a cyclobenzaprine treatment.

  本发明涉及使用环苯扎林治疗或预防与睡眠障碍相关的疲劳的方法，例如，多发性硬化症、纤维肌痛、法布里氏病、帕金森病或脑外伤。本发明进一步涉及环苯扎林治疗效果的生物标志物。
• USES OF COMPOSITIONS FOR TREATING OR PREVENTING SLEEP DISTURBANCES USING VERY LOW DOSES OF CYCLOBENZAPRINE
  申请人：Vela Pharmaceuticals Inc.

  公开号：EP1202722B1

  公开（公告）日：2005-07-13
• CYCLOBENZAPRINE TREATMENT FOR AGITATION, PSYCHOSIS AND COGNITIVE DECLINE IN DEMENTIA AND NEURODEGENERATIVE CONDITIONS
  申请人：Tonix Pharma Holdings Limited

  公开号：EP3723860A1

  公开（公告）日：2020-10-21
• METHODS AND COMPOSITIONS FOR TREATING FATIGUE ASSOCIATED WITH DISORDERED SLEEP USING VERY LOW DOSE CYCLOBENZAPRINE
  申请人：Lederman Seth

  公开号：US20110319389A1

  公开（公告）日：2011-12-29

  The present invention relates to methods for the treatment or prevention of fatigue associated with disordered sleep, for example, in multiple sclerosis, fibromyalgia, Fabry's disease, Parkinson's disease, or traumatic brain injury, using cyclobenzaprine The present invention further relates to a biomarker for the therapeutic effects of a cyclobenzaprine treatment.
• US9474728B2
  申请人：——

  公开号：US9474728B2

  公开（公告）日：2016-10-25