6-氯-1H-吡唑并[4,3-b]吡啶 | 1260670-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 中文名称: 6-氯-1H-吡唑并[4,3-b]吡啶
• 中文别名: 6-氯-4-氮杂吲唑
• 英文名称: 6-chloro-1H-pyrazolo[4,3-b]pyridine
• CAS: 1260670-01-6
• 化学式: C₆H₄ClN₃
• 分子量: 153.571
• InChiKey: CYBCIYFMTVHDNW-UHFFFAOYSA-N

物化性质

• 沸点：
  308.0±22.0 °C(Predicted)
• 密度：
  1.531±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-溴-1-((3R,5R,8R,9R,10S,13S,14S,17S)-3-羟基-3,13-二甲基十六氢-1H-环戊二烯并[A]菲-17-基)乙酮 、 6-氯-1H-吡唑并[4,3-b]吡啶 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 2-(6-chloropyrazolo[4,3-b]pyridin-1-yl)-1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone 、 2-(6-chloropyrazolo[4,3-b]pyridin-2-yl)-1-[(3R,5R,8R,9R,10S,13S,14S,17S)-3-hydroxy-3,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
  参考文献：
  名称：

  [EN] 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF
  [FR] STÉROÏDES NEUROACTIFS 19-NOR ET PROCÉDÉS D'UTILISATION DE CEUX-CI

  摘要：

  公开号：

  WO2014169832A9

文献信息

• NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF
  申请人：SAGE THERAPEUTICS, INC.

  公开号：US20160229887A1

  公开（公告）日：2016-08-11

  Described herein are neuroactive steroids of the Formula (I): or a pharmaceutically acceptable salt thereof; wherein -------, R 1 , R 2 , R 5 , A and L are as defined herein. Such compounds are envisioned, in certain embodiments, to behave as GABA modulators. The present invention also provides pharmaceutical compositions comprising a compound of the present invention and methods of use and treatment, e.g., such for inducing sedation and/or anesthesia.

  本文描述了式(I)的神经活性类固醇或其药学上可接受的盐；其中-------，R1，R2，R5，A和L的定义如下。在某些实施方式中，这些化合物被认为是GABA调节剂。本发明还提供了包含本发明化合物的制药组合物以及使用和治疗方法，例如用于诱导镇静和/或麻醉。
• 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION
  申请人：Sage Therapeutics, Inc.

  公开号：EP3719030A1

  公开（公告）日：2020-10-07

  Provided herein are 3,3-disubstituted 19-nor-steroidal compounds according to Formula (I): and pharmaceutical compositions thereof for inducing sedation. Such compounds are contemplated useful for the prevention and treatment of a variety of CNS-related conditions, for example, treatment of sleep disorders, mood disorders, schizophrenia spectrum disorders, disorders of memory and/or cognition, movement disorders, personality disorders, autism spectrum disorders, pain, traumatic brain injury, vascular diseases, substance abuse disorders and/or withdrawal syndromes, tinnitus, and status epilepticus.

  本文提供的是符合式（I）的 3,3-二取代 19-去甲甾醇化合物： 及其药物组合物，用于诱导镇静。此类化合物可用于预防和治疗各种中枢神经系统相关疾病，例如，治疗睡眠障碍、情绪障碍、精神分裂症谱系障碍、记忆和/或认知障碍、运动障碍、人格障碍、自闭症谱系障碍、疼痛、脑外伤、血管疾病、药物滥用障碍和/或戒断综合征、耳鸣和癫痫状态。
• 19-nor neuroactive steroids and methods of use thereof
  申请人：SAGE THERAPEUTICS, INC.

  公开号：US10377790B2

  公开（公告）日：2019-08-13

  Provided herein are 3,3-disubstituted 19-nor-steroidal compounds according to Formula (I): and pharmaceutical compositions thereof. Such compounds are contemplated useful for the prevention and treatment of a variety of CNS-related conditions, for example, treatment of sleep disorders, mood disorders, schizophrenia spectrum disorders, disorders of memory and/or cognition, movement disorders, personality disorders, autism spectrum disorders, pain, traumatic brain injury, vascular diseases, substance abuse disorders and/or withdrawal syndromes, tinnitus, and status epilepticus.

  本文提供的是符合式（I）的 3,3-二取代 19-去甲类固醇化合物及其药物组合物。此类化合物可用于预防和治疗多种中枢神经系统相关疾病，例如，治疗睡眠障碍、情绪障碍、精神分裂症谱系障碍、记忆和/或认知障碍、运动障碍、人格障碍、自闭症谱系障碍、疼痛、脑外伤、血管疾病、药物滥用障碍和/或戒断综合征、耳鸣和癫痫状态。
• 19-NOR neuroactive steroids and methods of use thereof
  申请人：Sage Therapeutics, Inc.

  公开号：US11261211B2

  公开（公告）日：2022-03-01

  Provided herein are 3,3-disubstituted 19-nor-steroidal compounds according to Formula (1): and pharmaceutical compositions thereof. Such compounds are contemplated useful for the prevention and treatment of a variety of CNS-related conditions, for example, treatment of sleep disorders, mood disorders, schizophrenia spectrum disorders, disorders of memory and/or cognition, movement disorders, personality disorders, autism spectrum disorders, pain, traumatic brain injury, vascular diseases, substance abuse disorders and/or withdrawal syndromes, tinnitus, and status epilepticus.

  本文提供的是符合式（1）的 3,3-二取代 19-去甲类固醇化合物及其药物组合物。此类化合物可用于预防和治疗多种中枢神经系统相关疾病，例如，治疗睡眠障碍、情绪障碍、精神分裂症谱系障碍、记忆和/或认知障碍、运动障碍、人格障碍、自闭症谱系障碍、疼痛、脑外伤、血管疾病、药物滥用障碍和/或戒断综合征、耳鸣和癫痫状态。
• 19-NOR NEUROACTIVE STEROIDS AND METHODS OF USE THEREOF
  申请人：Sage Therapeutics, Inc.

  公开号：EP2986624A1

  公开（公告）日：2016-02-24