4-benzyl-7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine | 1055880-51-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 4-benzyl-7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine
• 英文别名: 4-benzyl-7-bromo-3,5-dihydro-2H-1,4-benzoxazepine
• CAS: 1055880-51-7
• 化学式: C₁₆H₁₆BrNO
• 分子量: 318.213
• InChiKey: GSLMJGTXBSUFNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-benzyl-7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine 在 1-氯乙基氯甲酸酯 、 甲醇 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 2.0h， 生成 7-bromo-2,3,4,5-tetrahydrobenzo[f ][1,4]oxazepine hydrochloride
  参考文献：
  名称：

  BENZOXAZEPINE DERIVATIVES AND USE THEREOF

  摘要：

  公开号：

  EP2123644B1
• 作为产物：
  描述：

  4-benzyl-7-bromo-3,4-dihydro-1,4-benzoxazepine-5(2H)-one 在 硼烷四氢呋喃络合物 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 2.0h， 以59.5%的产率得到4-benzyl-7-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine
  参考文献：
  名称：

  BENZOXAZEPINE DERIVATIVES AND USE THEREOF

  摘要：

  公开号：

  EP2123644B1

文献信息

• Benzoxazepine derivatives and use thereof
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08247403B2

  公开（公告）日：2012-08-21

  Compounds represented by the general formula (I): wherein each symbol is as defined in the description [with the proviso that 9-chloro-7-(1,1-dimethylethyl)-2,3,4,5-tetrahydro-1,4-benz-oxazepine and N-[[(5S)-2-oxo-3-(2,3,4,5-tetrahydro-1,4-benz-oxazepin-7-yl)-5-oxazolidinyl]methyl]acetamide are excluded], salts of the same, and prodrugs thereof have selective activation effect on serotonin 5-HT2C receptor and are useful as preventive and therapeutic agents for lower urinary tract diseases, obesity, and/or pelvic organ prolapse.

  一般式（I）所代表的化合物：其中每个符号如描述中所定义[但9-氯-7-（1，1-二甲基乙基）-2,3,4,5-四氢-1,4-苯并噁唑环和N-[[(5S)-2-氧代-3-（2,3,4,5-四氢-1,4-苯并噁唑-7-基）-5-噁唑烷基]甲基]乙酰胺被排除]，其盐和前药在选择性激活5-羟色胺5-HT2C受体方面具有作用，并可用作预防和治疗下尿路疾病、肥胖症和/或盆腔器官脱垂的药物。
• US8247403B2
  申请人：——

  公开号：US8247403B2

  公开（公告）日：2012-08-21
• [EN] AGENTS FOR TREATING DISORDERS INVOLVING MODULATION OF RYANODINE RECEPTORS<br/>[FR] AGENTS DE TRAITEMENT DE TROUBLES COMPRENANT LA MODULATION DE RÉCEPTEURS DE LA RYANODINE
  申请人：ARMGO PHARMA INC

  公开号：WO2008144483A2

  公开（公告）日：2008-11-27

  [EN] The present invention provides new agents and compounds effective for treating disorders and diseases associated with RyRs, including cardiac, muscular and cognitive disorders and diseases. These agents are derivatives of benzoxazepines, benzodiazepines and benzazapines. More particularly, the invention provides compounds which include derivatives of benzoxazepine, and their enantiomers, diastereomers, tautomers, pharmaceutically acceptable salts, hydrates, solvates, complexes, polymorphs, metabolites, and prodrugs thereof.
  [FR] La présente invention concerne de nouveaux agents et composés efficaces pour traiter des troubles et des maladies associés aux récepteurs de la ryanodine, comprenant les troubles et maladies cardiaques, musculaires et cognitifs. Les agents sont des dérivés de benzoxazépines, benzodiazépines et benzazapines. Plus particulièrement, l'invention concerne des composés comprenant des dérivés de benzoxazépine, et leurs énantiomères, diastéréomères, tautomères, les sels, hydrates, solvates, complexes, formes polymorphes, métabolites, et promédicaments pharmaceutiquement acceptables de ceux-ci.
• [EN] METHODS OF PREVENTING AND TREATING SARCOPENIA<br/>[FR] MÉTHODES DE TRAITEMENT PROPHYLACTIQUE ET THÉRAPEUTIQUE DE LA SARCOPÉNIE
  申请人：UNIV COLUMBIA

  公开号：WO2012019071A1

  公开（公告）日：2012-02-09

  The present invention provides methods and compositions useful for the treatment and/or prevention of sarcopenia. The compositions include one or more of the following benzothiazepine, benzoxazepine, benzodiazepine or benzazepine compounds (The formula should be inserted here) as disclosed herein while the methods include administering to a subject a therapeutically or prophylactically effective amount of the compounds or compositions to a subject in need thereof.
• [EN] COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING CARDIAC ISCHEMIA/REPERFUSION INJURY<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT PROPHYLACTIQUE OU THÉRAPEUTIQUE D'UNE LÉSION D'ISCHÉMIE/REPERFUSION CARDIAQUE
  申请人：UNIV COLUMBIA

  公开号：WO2012019076A1

  公开（公告）日：2012-02-09

  The present invention provides methods and compositions useful for the treatment and/or prevention of cardiac ischemia/reperfusion (I/R) injury. In certain embodiments, the methods of the present invention include administering to a subject a therapeutically or prophylactically effective amount of one or more of the following benzothiazepine, benzoxazepine, benzodiazepine or benzazepine compounds formula (I): as disclosed herein.