S-[1-(2-benzoyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester | 872873-91-1

• 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: S-[1-(2-benzoyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
• 英文别名: tert-butyl N-[(2S)-1-(2-benzoylanilino)-1-oxopropan-2-yl]carbamate
• CAS: 872873-91-1
• 化学式: C₂₁H₂₄N₂O₄
• 分子量: 368.433
• InChiKey: NBAKHKSJDGVLKM-AWEZNQCLSA-N

物化性质

• 沸点：
  589.9±35.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  S-[1-(2-benzoyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester 在 盐酸 、 碳酸氢钠 、 sodium hydroxide 作用下， 以 氯仿 、 水 、 甲醇 为溶剂， 反应 10.0h， 以83%的产率得到(S)-3-methyl-5-phenyl-1,3-dihydro-2H-benzo[e][1,4]diazepin-2-one
  参考文献：
  名称：

  Stereospecific anxiolytic and anticonvulsant agents with reduced muscle-relaxant, sedative-hypnotic and ataxic effects

  摘要：

  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。

  公开号：

  US20060003995A1
• 作为产物：
  描述：

  N-叔丁氧羰基-L-丙氨酸 、 2-氨基二苯甲酮 在 N,N-二异丙基乙胺 、 fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 生成 S-[1-(2-benzoyl-phenylcarbamoyl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Novel 1,4-benzodiazepine derivatives with antiproliferative properties on tumor cell lines

  摘要：

  Novel 1,4-benzodiazepine compounds were synthesized and evaluated for their ability to inhibit the proliferation of tumor cells. Some compounds revealed activities in the micromolar range and were more efficient than reference compound Ro 5-4864. Preliminary SAR helped to identify critical motifs for antiproliferative activity and led to the discovery of a compound selective for a melanoma cell line, known for its resistance to chemotherapy. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.016

文献信息

• 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。
• 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。
• Selective Agents for Pain Suppression
  申请人：Cook James

  公开号：US20100317619A1

  公开（公告）日：2010-12-16

  In preferred embodiments, the present invention provides methods of treatment and pharmaceutical compositions for the suppression, alleviation and prevention of the often chronic, severe and debilitating pain that can accompany inflammatory diseases and neuropathic insults, pain that is often unresponsive to conventional analgesic treatment. 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 neuropathic pain, migraine-related pain and inflammatory pain with reduced sedative and ataxic side effects.

  在首选实施例中，本发明提供了治疗方法和药物组合物，用于抑制、缓解和预防伴随炎症性疾病和神经病变的常见、严重和令人痛苦的慢性疼痛，这种疼痛通常对常规镇痛治疗无效。本发明的首选实施例还涉及使用苯二氮平衍生物的治疗方法和药物组合物，其提供了抑制、缓解和预防神经病理性疼痛、偏头痛相关疼痛和炎症性疼痛的效果，并减少了镇静和共济失调的副作用。
• US7618958B2
  申请人：——

  公开号：US7618958B2

  公开（公告）日：2009-11-17