tert-butyl 2-(3-bromobenzoyl)hydrazinecarboxylate | 489455-69-8

• 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: tert-butyl 2-(3-bromobenzoyl)hydrazinecarboxylate
• 英文别名: 3-bromophenylcarbonyl-(N-tert-butoxycarbonyl)hydrazide；3-bromophenylcarbonyl-(N-t-butoxycarbonyl) hydrazide；tert-butyl N-[(3-bromobenzoyl)amino]carbamate
• CAS: 489455-69-8
• 化学式: C₁₂H₁₅BrN₂O₃
• 分子量: 315.167
• InChiKey: YKUOQSOOPZJHFD-UHFFFAOYSA-N

物化性质

• 密度：
  1.404±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-(3-bromobenzoyl)hydrazinecarboxylate 在 盐酸 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 2-(3-溴苯)-5-甲基-1,3,4-恶二唑
  参考文献：
  名称：

  [EN] BIARYL PYRAZOLES AS NRF2 REGULATORS
  [FR] BIARYL PYRAZOLES UTILISÉS COMME RÉGULATEURS DE NRF2

  摘要：

  本发明涉及双芳基吡唑化合物、它们的制备方法、含有它们的药物组合物及其作为NRF2调节剂的应用。

  公开号：

  WO2017060854A1
• 作为产物：
  描述：

  肼基甲酸叔丁酯 、 间溴苯甲酸 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 5.75h， 以30.9%的产率得到tert-butyl 2-(3-bromobenzoyl)hydrazinecarboxylate
  参考文献：
  名称：

  [EN] BIARYL PYRAZOLES AS NRF2 REGULATORS
  [FR] BIARYL PYRAZOLES UTILISÉS COMME RÉGULATEURS DE NRF2

  摘要：

  本发明涉及双芳基吡唑化合物、它们的制备方法、含有它们的药物组合物及其作为NRF2调节剂的应用。

  公开号：

  WO2017060854A1

文献信息

• [EN] BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS<br/>[FR] TRIAZOLES SUBSTITUES PAR BIARYLE UTILISES COMME INHIBITEURS DES CANAUX SODIQUES
  申请人：MERCK & CO INC

  公开号：WO2004083189A1

  公开（公告）日：2004-09-30

  Biaryl substituted triazole compounds represented by Formula I, II or III, or pharmaceutically acceptable salts thereof, and a process for making such compounds and salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, epilepsy, irritable bowel syndrome, depression, anxiety, multiple sclerosis, and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  双芳基取代的三唑化合物，如式I、II或III所示，或其药学上可接受的盐，以及制备此类化合物及其盐的方法。药用组合物包含本发明化合物的有效量，可单独使用，或与一种或多种其他治疗活性化合物联合使用，并配以药学上可接受的载体。治疗与钠通道活性相关或由其引起的病症的方法，包括例如急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病性疼痛、癫痫、肠易激综合征、抑郁症、焦虑症、多发性硬化症和双相情感障碍，包括施用本发明化合物的有效量，可单独使用，或与一种或多种其他治疗活性化合物联合使用。实施局部麻醉的方法包括施用本发明化合物的有效量，可单独使用，或与一种或多种其他治疗活性化合物联合使用，并配以药学上可接受的载体。
• Biaryl substituted triazoles as sodium channnel blockers
  申请人：Chakravarty K. Prasun

  公开号：US20050119261A1

  公开（公告）日：2005-06-02

  Biaryl substituted triazole compounds represented by Formula I, II or III, or pharmaceutically acceptable salts thereof, and a process for making such compounds and salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, epilepsy, irritable bowel syndrome, depression, anxiety, multiple sclerosis, and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  公式I、II或III所代表的芳基取代三唑化合物，或其药学上可接受的盐，以及制备这些化合物和盐的过程。制药组合物包括有效量的即时化合物，单独或与一种或多种其他治疗活性化合物组合，并与药学上可接受的载体一起使用。治疗与钠通道活性相关或由此引起的疾病的方法，包括急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病性疼痛、癫痫、肠易激综合征、抑郁症、焦虑症、多发性硬化症和双相障碍，包括单独或与一种或多种其他治疗活性化合物组合的即时化合物的有效量的给药。一种给予局部麻醉的方法，包括给予即时发明的化合物的有效量，单独或与一种或多种其他治疗活性化合物组合，并与药学上可接受的载体一起使用。
• Substituted triazoles as sodium channel blockers
  申请人：Park K. Min

  公开号：US20060020006A1

  公开（公告）日：2006-01-26

  Substituted triazole compounds represented by Formula I, II or III, or pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, migraine, headache pain, migraine headache, epilepsy, irritable bowel syndrome, diabetic neuropathy, multiple sclerosis, manic depression and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  公式I、II或III所代表的取代三唑化合物，或其药学上可接受的盐。制药组合物包括有效量的本化合物，可以单独使用，也可以与一个或多个其他治疗活性化合物组合使用，并与药学上可接受的载体一起使用。治疗与钠通道活性相关或由其引起的疾病的方法，包括例如急性疼痛、慢性疼痛、内脏疼痛、炎性疼痛、神经病性疼痛、偏头痛、头痛疼痛、癫痫、肠易激综合征、糖尿病神经病、多发性硬化症、躁郁症和双相情感障碍等，包括单独使用或与一个或多个其他治疗活性化合物组合使用，以及药学上可接受的载体。一种局部麻醉的方法包括给予本发明化合物的有效量，可以单独使用，也可以与一个或多个其他治疗活性化合物组合使用，并与药学上可接受的载体一起使用。
• Biaryl substituted triazoles as sodium channel blockers
  申请人：Chakravarty K Prasun

  公开号：US20060183897A1

  公开（公告）日：2006-08-17

  Biaryl substituted triazole compounds represented by Formula I, II or III, or pharmaceutically acceptable salts thereof, and a process for making such compounds and salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, epilepsy, irritable bowel syndrome, depression, anxiety, multiple sclerosis, and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier.

  公式I、II或III所代表的取代联苯基咪唑化合物，或其药学上可接受的盐，以及制备这些化合物和盐的过程。制药组成物包括有效量的上述化合物，单独或与一个或多个其他治疗活性化合物结合，并与药学上可接受的载体混合。治疗与钠通道活性相关或由其引起的疾病的方法，包括例如急性疼痛、慢性疼痛、内脏疼痛、炎症性疼痛、神经病理性疼痛、癫痫、肠易激综合征、抑郁症、焦虑症、多发性硬化症和双相障碍，包括单独或与一个或多个其他治疗活性化合物结合，给予有效量的上述化合物。一种局部麻醉的给药方法，包括单独或与一个或多个其他治疗活性化合物结合，给予有效量的本发明化合物和药学上可接受的载体。
• Substituted Triazoles as Sodium Channel Blockers
  申请人：Park Min K.

  公开号：US20090074890A1

  公开（公告）日：2009-03-19

  Substituted triazole compounds represented by Formula I, II or III, or pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprise an effective amount of the instant compounds, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier. Methods of treating conditions associated with, or caused by, sodium channel activity, including, for example, acute pain, chronic pain, visceral pain, inflammatory pain, neuropathic pain, migraine, headache pain, migraine headache, epilepsy, irritable bowel syndrome, diabetic neuropathy, multiple sclerosis, manic depression and bipolar disorder, comprise administering an effective amount of the present compounds, either alone, or in combination with one or more other therapeutically active compounds. A method of administering local anesthesia comprises administering an effective amount of a compound of the instant invention, either alone, or in combination with one or more other therapeutically active compounds, and a pharmaceutically acceptable carrier (I), (II), (III).

  公式I、II或III所代表的取代三唑化合物，或其药学上可接受的盐。药物组合物包括有效量的本化合物，单独使用或与一个或多个其他治疗活性化合物联合使用，并加入药学上可接受的载体。治疗与钠通道活性相关或由其引起的疾病的方法，包括急性疼痛、慢性疼痛、内脏疼痛、炎性疼痛、神经痛、偏头痛、头痛、偏头痛头痛、癫痫、肠易激综合征、糖尿病性神经病、多发性硬化症、躁郁症等，包括单独使用或与一个或多个其他治疗活性化合物联合使用的有效量的本化合物的给药。一种局部麻醉的给药方法包括给予本发明化合物的有效量，单独使用或与一个或多个其他治疗活性化合物联合使用，并加入药学上可接受的载体(I)、(II)、(III)。