8,8-dimethyl-3-oxo-8-azoniabicyclo[3 .2.1]octane

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 8,8-dimethyl-3-oxo-8-azoniabicyclo[3 .2.1]octane
• 英文别名: N-Methyltropinon；N-Methyl-tropanonium；N-Methyl-tropinon-Kation；Tropanon-(3)-methohydroxyd；8,8-dimethyl-3-oxo-nortropanium；N-methyl-tropinone-3 cation；8,8-Dimethyl-8-azoniabicyclo[3.2.1]octan-3-one
• 化学式: C₉H₁₆NO
• 分子量: 154.232
• InChiKey: QSBSYQLWQDWROE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  8,8-dimethyl-3-oxo-8-azoniabicyclo[3 .2.1]octane 在 potassium phosphate 、 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 20.0h， 生成 tert-butyl 9-[8-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-4-morpholin-4-yl-5H-pyrido[3,2-c][1,5]benzoxazepine-11-carboxylate
  参考文献：
  名称：

  [EN] TRICYCLIC PYRIDINES AS CYCLIN-DEPENDENT KINASE 7 (CDK7) INHIBITORS
  [FR] PYRIDINES TRICYCLIQUES EN TANT QU'INHIBITEURS DE LA KINASE 7 CYCLINE-DÉPENDANTE (CDK7)

  摘要：

  The invention relates to pharmaceutical compounds of formula (I) and pharmaceutical compositions comprising said compounds, to processes for the preparation of said compounds and to the use of said compounds as inhibitors of cyclin-dependent kinase 7 (CDK7) and to their use in the treatment of diseases, e.g., cancer.

  公开号：

  WO2022189387A1

文献信息

• [EN] SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS EN TANT QUE MODULATEURS D'UN RÉCEPTEUR DE NOCICEPTINE
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2014153529A1

  公开（公告）日：2014-09-25

  The invention provides modulators of the nociceptin receptor (NOP), including both agonists and antagonists. A compound of the invention can be a selective modulator of NOP with respect to the μ- and κ- opioid receptors (MOP and KOP), thus providing a therapeutic method for the treatment of conditions wherein selective NOP modulation is medically indicated and MOP or KOP modulation may be less desirable. A compound of the invention can be a NOP full agonist, partial agonist, inverse agonist, positive or negative allosteric modulator, or a functionally biased agonist. A compound of the invention can be used for the treatment of an anxiety state, post-traumatic stress disorder, addictive disorders (including overuse of alcohol, tobacco, and drugs of abuse such as cocaine, amphetamines, and opitates), misregulated food intake and/or energy expenditure, cough, sleep disorders, migraine, pain, depression, or neurodegenerative disorders such as Parkinsons disease or Alzheimers disease.

  该发明提供了辅料受体（NOP）的调节剂，包括激动剂和拮抗剂。该发明的化合物可以是NOP的选择性调节剂，相对于μ-和κ-阿片受体（MOP和KOP），因此提供了一种治疗方法，用于治疗需要选择性NOP调节而MOP或KOP调节可能不太理想的疾病。该发明的化合物可以是NOP的全激动剂、部分激动剂、逆激动剂、正或负变构调节剂，或功能性偏向激动剂。该发明的化合物可用于治疗焦虑状态、创伤后应激障碍、成瘾性障碍（包括滥用酒精、烟草和可卡因、安非他明和阿片类等药物）、食物摄入和/或能量消耗失调、咳嗽、睡眠障碍、偏头痛、疼痛、抑郁症，或帕金森病或阿尔茨海默病等神经退行性疾病的治疗。
• Substituted-Quinoxaline-Type Piperidine Compounds and the Uses Thereof
  申请人：FUCHINO Kouki

  公开号：US20100216726A1

  公开（公告）日：2010-08-26

  The invention relates to Substituted-Quinoxaline-Type Piperidine Compounds, compositions comprising an effective amount of a Substituted-Quinoxaline-Type Piperidine Compound and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of a Substituted-Quinoxaline-Type Piperidine Compound.

  本发明涉及取代喹喔啉型哌啶化合物、包含有效量取代喹喔啉型哌啶化合物的组合物以及治疗或预防某种疾病（如疼痛）的方法，包括向需要治疗的动物施用有效量取代喹喔啉型哌啶化合物。
• INDOLE CARBOXAMIDES AS IKK2 INHIBITORS
  申请人：Boehm Jeffrey Charles

  公开号：US20120040958A1

  公开（公告）日：2012-02-16

  The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, rhinitis, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲哚羧酰胺化合物。具体而言，本发明涉及符合式(I)的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF
  申请人：Purdue Pharma L.P.

  公开号：US20150141643A1

  公开（公告）日：2015-05-21

  The invention relates to Substituted-Quinoxaline-Type Piperidine Compounds, compositions comprising an effective amount of a Substituted-Quinoxaline-Type Piperidine Compound and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of a Substituted-Quinoxaline-Type Piperidine Compound.

  该发明涉及取代喹喔啉型哌啶化合物，包括一种有效量的取代喹喔啉型哌啶化合物的组合物以及治疗或预防疾病的方法，例如疼痛，通过向需要治疗的动物施用一种有效量的取代喹喔啉型哌啶化合物。
• SUBSTITUTED BENZIMIDAZOLES AS NOCICEPTIN RECEPTOR MODULATORS
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20160052913A1

  公开（公告）日：2016-02-25

  The invention provides modulators of the nociceptin receptor (NOP), including both agonists and antagonists. A compound of the invention can be a selective modulator of NOP with respect to the μ- and κ-opioid receptors (MOP and KOP), thus providing a therapeutic method for the treatment of conditions wherein selective NOP modulation is medically indicated and MOP or KOP modulation may be less desirable. A compound of the invention can be a NOP full agonist, partial agonist, inverse agonist, positive or negative allosteric modulator, or a functionally biased agonist. A compound of the invention can be used for the treatment of an anxiety state, post-traumatic stress disorder, addictive disorders (including overuse of alcohol, tobacco, and drugs of abuse such as cocaine, amphetamines, and opitates), misregulated food intake and/or energy expenditure, cough, sleep disorders, grain, pain, depression, or neurodegenerative disorders such as Parkinsons disease or Alzheimers disease.

  本发明提供了诺西普针受体(NOP)的调节剂，包括激动剂和拮抗剂。本发明的化合物可以是NOP的选择性调节剂，相对于μ-和κ-阿片受体(MOP和KOP)，从而为治疗选择性NOP调节在医学上指示和MOP或KOP调节可能不太理想的情况提供治疗方法。本发明的化合物可以是NOP的全激动剂、部分激动剂、反向激动剂、正或负的变构调节剂，或功能偏向激动剂。本发明的化合物可用于治疗焦虑状态、创伤后应激障碍、成瘾性障碍(包括滥用酒精、烟草和滥用药物，如可卡因、安非他命和阿片类药物)、不当的食物摄入和/或能量消耗、咳嗽、睡眠障碍、谷物、疼痛、抑郁症或神经退行性疾病，如帕金森病或阿尔茨海默病的治疗。