1-(N,N-dimethylsulfamoyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate | 1041032-13-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(N,N-dimethylsulfamoyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
• 英文别名: 3-(dimethylsulfamoyl)-1-methyl-1-(trifluoromethanesulfonyloxy)-1λ4-imidazol-1-ium；trifluoromethanesulfonate;N,N,3-trimethylimidazol-3-ium-1-sulfonamide
• CAS: 1041032-13-6
• 化学式: CF₃O₃S*C₆H₁₂N₃O₂S
• 分子量: 339.317
• InChiKey: FHENSJAGIKNFFM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.98
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  9-benzhydryloxy-7-[(4-fluorophenyl)methyl]-5-(methylamino)-6H-pyrrolo[3,4-g]quinolin-8-one 、 1-(N,N-dimethylsulfamoyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate 反应 1.5h， 以80%的产率得到9-benzhydryloxy-5-[dimethylsulfamoyl(methyl)amino]-7-[(4-fluorophenyl)methyl]-6H-pyrrolo[3,4-g]quinolin-8-one
  参考文献：
  名称：

  Tricyclic HIV integrase inhibitors: Potent and orally bioavailable C5-aza analogs

  摘要：

  A series of C5-aza tricyclic HIV integrase inhibitors was prepared. A highly potent and orally bioavailable compound ( compound 9) was identified and selected for development. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.018
• 作为产物：
  描述：

  N,N-二甲基咪唑-1-磺酰胺 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 生成 1-(N,N-dimethylsulfamoyl)-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
  参考文献：
  名称：

  领先的磺酰脲基哌嗪哒嗪酮系列葡聚糖合酶抑制剂的优化

  摘要：

  描述了一种新型的磺酰脲类哌嗪哒嗪基小分子葡聚糖合酶抑制剂的结构-活性关系研究。该系列中PK谱的优化导致发现了几种具有改善的药代动力学谱的化合物，这些化合物显示了对临床相关菌株的体外效力。然而，从该系列化合物发展成非致命的全身性真菌感染模型未能显示出体内功效。

  DOI：

  10.1016/j.bmcl.2012.04.127

文献信息

• 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20200255403A1

  公开（公告）日：2020-08-13

  The present invention is directed to 5-alkyl pyrrolidine compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及对促进睡眠素受体的激动剂的5-烷基吡咯烷化合物。本发明还涉及所述化合物在潜在的治疗或预防涉及促进睡眠素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗涉及促进睡眠素受体的疾病中的用途。
• [EN] HETEROARYL PYRROLIDINE AND PIPERIDINE OREXIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'OREXINE DE TYPE PYRROLIDINE ET PIPÉRIDINE HÉTÉROARYLE
  申请人：MERCK SHARP & DOHME

  公开号：WO2021026047A1

  公开（公告）日：2021-02-11

  The present invention is directed to heteroaryl pyrrolidine and piperidine compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及异芳基吡咯烷和哌啶化合物，它们是促进睡眠素受体的激动剂。本发明还涉及所述化合物在潜在治疗或预防涉及睡眠素受体的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗涉及睡眠素受体的疾病中的用途。
• BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20220056017A1

  公开（公告）日：2022-02-24

  The present invention is directed to bicyclo[4.1.0]heptane pyrrolidine compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及一种双环[4.1.0]庚烷吡咯烷化合物，其为促进荷尔蒙受体的激动剂。本发明还涉及所述化合物在潜在的治疗或预防神经和精神障碍以及荷尔蒙受体参与的疾病方面的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗荷尔蒙受体参与的疾病方面的用途。
• 2-AMINOQUINOLINES
  申请人：Kolczewski Sabine

  公开号：US20090233927A1

  公开（公告）日：2009-09-17

  The present invention is concerned with 2-aminoquinoline derivatives of formula I wherein R 1 and R 2 are as described herein and pharmaceutically acceptable salts thereof, pharmaceutical compositions containing them, and methods for their manufacture. These compounds are 5-HT 5A receptor antagonists, useful for the prevention and/or treatment of depression, anxiety disorders, schizophrenia, panic disorders, agoraphobia, social phobia, obsessive compulsive disorders, post-traumatic stress disorders, pain, memory disorders, dementia, disorders of eating behaviors, sexual dysfunction, sleep disorders, abuse of drugs, motor disorders such as Parkinson's disease, psychiatric disorders or gastrointestinal disorders.

  本发明涉及式I的2-氨基喹啉衍生物，其中R1和R2如此描述，并且其药学上可接受的盐，包含它们的制药组合物以及其制造方法。这些化合物是5-HT5A受体拮抗剂，可用于预防和/或治疗抑郁症、焦虑症、精神分裂症、惊恐障碍、广场恐惧症、社交恐惧症、强迫症、创伤后应激障碍、疼痛、记忆障碍、痴呆、饮食行为障碍、性功能障碍、睡眠障碍、药物滥用、帕金森病等运动障碍、精神障碍或胃肠障碍的治疗。
• [EN] 3-AMINO PYRROLIDINE AND PIPERIDINE MACROCYCLIC OREXIN RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR DE L'OREXINE DE TYPE 3-AMINO PYRROLIDINE ET PIPÉRIDINE MACROCYCLIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2022109117A1

  公开（公告）日：2022-05-27

  The present invention is directed to 3-amino pyrrolidine and piperidine macrocyclic compounds which are agonists of orexin receptors. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which orexin receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which orexin receptors are involved.

  本发明涉及3-氨基吡咯烷和哌啶大环化合物，其为促进荷尔蒙受体的激动剂。本发明还涉及所述化合物在潜在的神经和精神障碍和疾病的治疗或预防中的用途，其中荷尔蒙受体参与其中。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在的预防或治疗荷尔蒙受体参与的疾病中的用途。