(3S)-(9CI)-3-(三氟甲基)-哌啶 | 749208-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (3S)-(9CI)-3-(三氟甲基)-哌啶
• 英文名称: (S)-3-(trifluoromethyl)piperidine
• 英文别名: (3S)-3-(trifluoromethyl)piperidine
• CAS: 749208-62-6
• 化学式: C₆H₁₀F₃N
• 分子量: 153.147
• InChiKey: JOHFJTBDUSVGQB-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyrazine-7(8H)-sulfonyl fluoride 、 (3S)-(9CI)-3-(三氟甲基)-哌啶 在 三乙烯二胺 、 Ca(bis(triflimide))2 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以84%的产率得到(S)-2-(trifluoromethyl)-7-((3-(trifluoromethyl)piperidin-1-yl)sulfonyl)-5,6,7,8-tetrahydroimidazo-[1,2-a]pyrazine
  参考文献：
  名称：

  用Ca（NTf2）2进行SuFEx活化：从S（VI）氟化物中获取磺酰胺，氨基磺酸盐和磺酰胺的统一策略。

  摘要：

  描述了用三氟甲磺酸钙和DABCO活化胺磺酰氟，氟硫酸盐和磺酰氟的方法，用于胺与SuFEx。在室温和温和条件下，将反应物应用于各种不同的磺酰胺，氨基磺酸盐和磺酰胺。此外，我们强调了这种向平行药物化学的转化，以生成各种基于氮的S（VI）化合物。

  DOI：

  10.1021/acs.orglett.0c01397
• 作为产物：
  描述：

  (S)-4-(叔丁基)-3-(5-(三氟甲基)吡啶-2-基)恶唑烷-2-酮 在 palladium dihydroxide 氢气 、 溶剂黄146 作用下， 25.0 ℃ 、10.0 MPa 条件下， 反应 26.0h， 生成 (R)-3-(trifluoromethyl)piperidine 、 (3S)-(9CI)-3-(三氟甲基)-哌啶
  参考文献：
  名称：

  吡啶的高效不对称氢化。

  摘要：

  DOI：

  10.1002/anie.200453942

文献信息

• SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS
  申请人：GLAXOSMITHKLINE LLC

  公开号：US20150152108A1

  公开（公告）日：2015-06-04

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥式脲化合物，相应的相关类似物，药物组合物以及其使用方法。本发明的抑制素调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和疾病，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红有关的疾病或疾病，以及那些会受益于增加线粒体活性的疾病或疾病。本发明还涉及包含抑制素调节化合物与另一治疗剂组合的组合物。
• [EN] SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS<br/>[FR] ANALOGUES D'URÉE PONTÉS SUBSTITUÉS EN TANT QUE MODULATEURS DE SIRTUINE
  申请人：GLAXOSMITHKLINE IP NO 2 LTD

  公开号：WO2016079709A1

  公开（公告）日：2016-05-26

  The present invention relates to novel substituted bridged urea analog compounds of Formula (I) or pharmaceutically acceptable salts thereof, corresponding pharmaceutical compositions, processes for making and use of such compounds, alone or in combination with other therapeutic agents, as Sirtuin Modulators useful for increasing lifespan of a cell, and for use in treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity.

  本发明涉及一种新型的取代桥式脲类似物化合物，其化学式为（I）或其药学上可接受的盐，相应的药物组合物，制备这种化合物的方法以及单独使用或与其他治疗剂联合使用的这些化合物作为Sirtuin调节剂，可用于增加细胞寿命，并用于治疗和/或预防各种疾病和紊乱，包括但不限于与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、血液凝块紊乱、炎症、癌症和/或潮红有关的疾病或紊乱，以及那些会受益于增加线粒体活性的疾病或紊乱。
• GLS1 INHIBITORS FOR TREATING DISEASE
  申请人：Board of Regents, The University of Texas System

  公开号：US20160002204A1

  公开（公告）日：2016-01-07

  Disclosed herein are compounds and compositions useful in the treatment of GLS1 mediated diseases, such as cancer, having the structure of Formula I: Methods of inhibition GLS1 activity in a human or animal subject are also provided.

  本文披露了一些具有I式结构的化合物和组合物，可用于治疗GLS1介导的疾病，例如癌症。同时，还提供了抑制人类或动物主体中GLS1活性的方法。
• Azaquinazoline Inhibitors of Atypical Protein Kinase C
  申请人：Cancer Research Technology Limited

  公开号：US20160102094A1

  公开（公告）日：2016-04-14

  The present application provides a compound of formula (1) or a salt thereof, wherein R 7 , R 8 , R 9 , G, and X are as defined herein. This application further describes compositions comprising the same. Compounds of formula (I) and their salts have aPKC inhibitory activity, and may be used to treat proliferative diseases.

  本申请提供了一个公式（1）的化合物或其盐，其中R7、R8、R9、G和X的定义如本文所述。本申请进一步描述了包含这些化合物的组合物。公式（I）的化合物及其盐具有aPKC抑制活性，并可用于治疗增殖性疾病。
• Substituted bridged urea analogs as sirtuin modulators
  申请人：GLAXOSMITHKLINE LLC

  公开号：US10590135B2

  公开（公告）日：2020-03-17

  The present invention relates to novel substituted bridged urea compounds, corresponding related analogs, pharmaceutical compositions and methods of use thereof. Sirtuin-modulating compounds of the present invention may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders, which include, but are not limited to, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. The present invention also related to compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本发明涉及新型取代桥基脲化合物、相应的相关类似物、药物组合物及其使用方法。本发明的Sirtuin调节化合物可用于增加细胞的寿命，治疗和/或预防多种疾病和失调，这些疾病和失调包括但不限于例如与衰老或压力、糖尿病、肥胖、神经退行性疾病、心血管疾病、凝血障碍、炎症、癌症和/或潮红有关的疾病或失调，以及将受益于线粒体活性增加的疾病或失调。本发明还涉及由sirtuin调节化合物与另一种治疗剂组合而成的组合物。