7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione | 34099-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione
• 英文别名: 7-bromo-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepine-2-thione；7-bromo-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepine-2-thione；7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-thione；7-Brom-5-phenyl-1.3-dihydro-2H-1.4-benzodiazepin-2-thion；7-Bromo-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-thione；7-bromo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-2-thione
• CAS: 34099-70-2
• 化学式: C₁₅H₁₁BrN₂S
• 分子量: 331.236
• InChiKey: RGEBXTAQYWVMJZ-UHFFFAOYSA-N

物化性质

• 沸点：
  420.7±55.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  56.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-bromo-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione 在 一水合肼 、 N,N'-羰基二咪唑 作用下， 以 甲醇 为溶剂， 反应 21.2h， 生成
  参考文献：
  名称：

  1-（氨基烷基）-6-芳基-4-Hs-三唑并[4,3-a] [1,4]苯并二氮杂卓具有抗焦虑和抗抑郁活性。

  摘要：

  已经制备了一系列的1-（氨基烷基）-6-芳基-4H-s-三唑并[4，3-a] [1，4]苯并二氮杂并评估中枢神经系统活性。我们发现该系列的成员在旨在检测抗焦虑和抗抑郁活性的药理学测试系统中具有活性。每种类型的活性可以通过适当的取代基选择独立地变化。

  DOI：

  10.1021/jm00178a009

文献信息

• Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects
  申请人：Cook M. James

  公开号：US20060003995A1

  公开（公告）日：2006-01-05

  The present invention provides compositions and methods of using stereospecific benzodiazepine derivatives, their salts and prodrugs for the treatment of anxiolytic or convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnotic, muscle relaxant and ataxic side-effects. The invention further provides pharmaceutical compositions for treatment of anxiolytic and convulsant disorders in subjects in need thereof, comprising a compound, prodrug or a salt having a chemical structure represented by any one of Formula I-XXI and a pharmaceutically-acceptable carrier.

  本发明提供了使用立体特异性苯二氮卓类衍生物、它们的盐和前药治疗焦虑症或癫痫发作障碍的组合物和方法，该方法具有减少酒精渴望的副作用，同时减少酒精成瘾者的镇静、催眠、肌肉松弛和共济失调副作用。本发明还提供了用于治疗焦虑症和癫痫发作障碍的药物组合物，包括具有化学结构由任何一种I-XXI式表示的化合物、前药或盐，以及一种药学上可接受的载体。
• SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES
  申请人：Cook James M.

  公开号：US20100261711A1

  公开（公告）日：2010-10-14

  In preferred embodiments, the present invention provides methods of treatment and pharmaceutical compositions for the suppression, alleviation and prevention of seizures. The preferred embodiments of the present invention further relate to methods of treatment and pharmaceutical compositions using benzodiazepine derivatives that provide suppression, alleviation and prevention of seizures with reduced sedative and ataxic side effects.

  在优选实施方式中，本发明提供了用于抑制、缓解和预防癫痫发作的治疗方法和药物组合物。本发明的优选实施方式进一步涉及使用苯二氮䓬类衍生物的治疗方法和药物组合物，该类衍生物在减少镇静和共济失调副作用的同时提供了抑制、缓解和预防癫痫发作的效果。
• [EN] STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS<br/>[FR] AGENTS ANXIOLYTIQUES ET ANTICONVULSIFS STEREOSPECIFIQUES PRESENTANT DES EFFETS MYORELAXANTS, SEDATIFS-HYPNOTIQUES ET ATAXIQUES REDUITS
  申请人：WISYS TECHNOLOGY FOUND INC

  公开号：WO2006004945A1

  公开（公告）日：2006-01-12

  The present invention provides compositions and methods of using stereospecific benzodiazepine derivatives, their salts and prodrugs for the treatment of anxiolytic or convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnotic, muscle relaxant and ataxic side-effects. The invention further provides pharmaceutical compositions for treatment of anxiolytic and convulsant disorders in subjects in need thereof, comprising a compound, prodrug or a salt having a chemical structure represented by any one of Formula I-XXI and a pharmaceutically-acceptable carrier.

  本发明提供了使用立体特异性苯二氮平衍生物、它们的盐和前药治疗焦虑或惊厥性疾病的组合物和方法，其副作用为减少酒精成瘾，同时减少镇静、催眠、肌肉松弛和共济失调的副作用。本发明还提供了制药组合物，用于治疗需要的患有焦虑和惊厥性疾病的受试者，包括具有化学结构的化合物、前药或盐，该化学结构由公式I-XXI中的任何一个表示，并且具有药学上可接受的载体。
• Anxiolytic agents with reduced sedative and ataxic effects
  申请人：——

  公开号：US20040082573A1

  公开（公告）日：2004-04-29

  Orally active benzodiazepine derivatives and their salts are disclosed. These compounds and their salts have anxiolytic and anticonvulsant activity with reduced sedative/hypnotic/muscle relaxant/ataxic effects.

  本发明公开了口服活性苯二氮卓衍生物及其盐。这些化合物及其盐具有抗焦虑和抗抽搐活性，同时减少了镇静/催眠/肌肉松弛/共济失调的副作用。
• STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS
  申请人：Cook James M.

  公开号：US20100004226A1

  公开（公告）日：2010-01-07

  The present invention provides compositions and methods of using stereospecific benzodiazepine derivatives, their salts and prodrugs for the treatment of anxiolytic or convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnotic, muscle relaxant and ataxic side-effects. The invention further provides pharmaceutical compositions for treatment of anxiolytic and convulsant disorders in subjects in need thereof, comprising a compound, prodrug or a salt having a chemical structure represented by any one of Formula I-IV, VI-XI, XV-XVIII and XX-XXI and a pharmaceutically-acceptable carrier.

  本发明提供了立体特异性苯二氮平衍生物、其盐和前药的组合物及使用方法，用于治疗焦虑或惊厥性疾病，在人类酗酒者中具有减少酒精渴望的副作用，以及同时减少镇静、催眠、肌肉松弛和共济失调的副作用。本发明进一步提供了用于治疗需要该类治疗的焦虑和惊厥性疾病患者的药物组合物，包括具有化学结构的化合物、前药或盐Formula I-IV、VI-XI、XV-XVIII和XX-XXI中的任意一个，并且是药学可接受的载体。