4,5-difluoro-10-aza-tricyclo[6.3.0(2,7)]dodeca-2(7),3,5-triene | 287973-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 4,5-difluoro-10-aza-tricyclo[6.3.0(2,7)]dodeca-2(7),3,5-triene
• 英文别名: 4,5-difluoro-10-aza-tricyclo[6.3.1.0^2.7]dodeca-2,4,6-triene；4,5-difluoro-10-aza-tricyclo[6.3.1.0.2.7]dodeca-2(7),3,5-triene；4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien；4,5-difluoro-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
• CAS: 287973-26-6
• 化学式: C₁₁H₁₁F₂N
• 分子量: 195.212
• InChiKey: KMIROODCYQMZLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5-difluoro-10-aza-tricyclo[6.3.0(2,7)]dodeca-2(7),3,5-triene 在 四(三苯基膦)钯 、 正丁基锂 、 1,2,3,4,5-五苯基-1′-(二叔丁基膦)二茂铁 、 sodium carbonate 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 、 甲苯 、 苯 为溶剂， 反应 30.58h， 生成 C₆HF₂(C₅H₈NPh)(CH₂CH₂B(C₆F₅)₂)(PPh₃)
  参考文献：
  名称：

  手性沮丧路易斯对的设计考虑因素：衍生自3,5-双环芳基哌啶的B / N FLP †

  摘要：

  在此，将3，5-双环芳基哌啶衍生化以产生手性B / N FLP。最初，通过一系列合成步骤将二元对称胺C 6 H 2 F 2（C 5 H 8 N i Pr）1转化为苯乙烯衍生物C 6 HF 2（C 5 H 8 N i Pr）（CH CH 2）4。努力硼氢化乙烯基片段证明了具有挑战性的强碱性氮的结果，虽然物种C 6 HF 2（C 5 H ^ 8对N（H）i Pr）（CH 2 CH 2 B（OH）（C 6 F 5）2）5进行晶体学表征。通过将胺C 6 H 2 F 2（C 5 H 8 NH）6转化为C 6 HF 2（C 5 H 8 NPh）（CH CH 2）9来实现系统的改性。9与9-BBN或HB（C 6 F 5）2进行硼氢化生成C分别为6 HF 2（C 5 H 8 NPh）（CH 2 CH 2 BBN） 10或C 6 HF 2（C 5 H 8 NPh）（CH 2 CH 2 B（C 6 F 5） 2）

  DOI：

  10.1039/c8dt04070b

文献信息

• Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome
  申请人：Pfizer Inc.

  公开号：US20030134844A1

  公开（公告）日：2003-07-17

  This invention relates to the use of nicotinic acetylcholine receptor agonists for the treatment of restless legs syndrome (RLS). The invention further relates to the use of a nicotinic acetylcholine receptor agonist in the manufacture of a medicament for the treatment of RLS. The present invention also relates to a pharmaceutical composition for the treatment of RLS containing a nicotinic acetylcholine receptor agonist.

  这项发明涉及尼古丁型乙酰胆碱受体激动剂用于治疗不安腿综合征（RLS）。该发明还涉及尼古丁型乙酰胆碱受体激动剂在制造治疗RLS药物中的应用。本发明还涉及一种含有尼古丁型乙酰胆碱受体激动剂的治疗RLS的药物组合物。
• Pharmaceutical composition and method of modulating cholinergic function in a mammal
  申请人：Pfizer Inc.

  公开号：US20030008892A1

  公开（公告）日：2003-01-09

  A pharmaceutical composition and method of modulating cholinergic function in a mammal comprising administration of a NRPA compound or a pharmaceutically acceptable salt thereof; and an anti-emetic/anti-nausea agent or a pharmaceutically acceptable salt thereof; and a pharmaceutically acceptable carrier. The NRPA compound and the anti-emetic/anti-nausea agent are present in amounts that render the composition effective modulating cholinergic function or in the treatment of a diorder or condition selected from inflammatory bowel disease (including but not limited to ulcerative colitis, pyoderma gangrenosum and Crohn's disease), irritable bowel syndrome, spastic dystonia, chronic pain, acute pain, celiac sprue, pouchitis, vasoconstriction, anxiety, panic disorder, depression, bipolar disorder, autism, sleep disorders, jet lag, amyotrophic lateral sclerosis (ALS), cognitive dysfunction, hypertension, bulimia, anorexia, obesity, cardiac arrythmias, gastric acid hypersecretion, ulcers, pheochromocytoma, progressive supranuclear palsy, chemical dependencies and addictions (e.g., dependencies on, or addictions to nicotine (and/or tobacco products), alcohol, benzodiazepines, barbiturates, opioids or cocaine), headache, migraine, stroke, traumatic brain injury (TBI), obsessive-compulsive disorder (OCD), psychosis, Huntington's chorea, tardive dyskinesia, hyperkinesia, dyslexia, schizophrenia, multi-infarct dementia, age-related cognitive decline, epilepsy, including petit mal absence epilepsy, senile dementia of the Alzheimer's type (AD), Parkinson's disease (PD), attention deficit hyperactivity disorder (ADHD) and Tourette's Syndrome. The method of using these compositions is also disclosed.

  一种药物组合物及其在哺乳动物中调节胆碱能功能的方法，包括给予NRPA化合物或其药学上可接受的盐；以及抗恶心/抗呕吐剂或其药学上可接受的盐；和药学上可接受的载体。NRPA化合物和抗恶心/抗呕吐剂的含量使组合物能够有效调节胆碱能功能或用于治疗炎症性肠病（包括但不限于溃疡性结肠炎、化脓性坏疽和克罗恩病）、肠易激综合症、痉挛性肌张力障碍、慢性疼痛、急性疼痛、乳糜泻、袋炎、血管收缩、焦虑、惊恐障碍、抑郁症、躁郁症、自闭症、睡眠障碍、时差反应、肌萎缩侧索硬化症（ALS）、认知功能障碍、高血压、贪食症、厌食症、肥胖症、心脏心律失常、胃酸过多分泌、溃疡、嗜铬细胞瘤、进行性核上性麻痹、化学依赖和成瘾（例如对尼古丁（和/或烟草制品）、酒精、苯二氮卓、巴比妥类药物、阿片类药物或可卡因的依赖或成瘾）、头痛、偏头痛、中风、创伤性脑损伤（TBI）、强迫症、精神病、亨廷顿舞蹈症、迟发性运动障碍、过动症、阿尔茨海默病的老年性痴呆、帕金森病（PD）、注意力缺陷多动障碍（ADHD）和抽动症。还公开了使用这些组合物的方法。
• Aryl fused azapolycyclic compounds
  申请人：——

  公开号：US20020111350A1

  公开（公告）日：2002-08-15

  Compounds of the formula 1 and their pharmaceutically acceptable salts, wherein R 1 , R 2 , R 3 and n are defined as in the specification, intermediates in the synthesis of such compounds, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of neurological and psychological disorders are claimed.

  本发明涉及化合物1及其药用可接受的盐，其中R1、R2、R3和n如规范中所定义，以及合成此类化合物的中间体，含有此类化合物的制药组合物以及使用此类化合物治疗神经和心理障碍的方法。
• Composition for the treatment and prevention of nicotine addiction containing a nicotine receptor agonist and an anti-depressant or anti-anxiety drug
  申请人：Pfizer Products Inc.

  公开号：EP1078637A2

  公开（公告）日：2001-02-28

  Pharmaceutical compositions are disclosed for the treatment of nicotine dependence or addiction, tobacco dependence or addiction, reduction of nicotine withdrawal symptoms or aiding in the cessation or lessening of tobacco use or substance abuse. The pharmaceutical compositions are comprised of a therapeutically effective combination of a nicotine receptor partial agonist and an anti-depressant or anxiolytic agent and a pharmaceutically acceptable carrier. The method of using these compounds is also disclosed.

  本发明公开了用于治疗尼古丁依赖或成瘾、烟草依赖或成瘾、减轻尼古丁戒断症状或帮助戒烟或减少烟草使用或药物滥用的药物组合物。这些药物组合物由尼古丁受体部分激动剂和抗抑郁剂或抗焦虑剂的治疗有效组合以及药学上可接受的载体组成。还公开了使用这些化合物的方法。
• A pharmaceutical composition for the treatment of obesity or to facilitate or promote weight loss, comprising a nicotine receptor partial agonist and an anti-obesity agent
  申请人：Pfizer Products Inc.

  公开号：EP1159970A2

  公开（公告）日：2001-12-05

  Pharmaceutical compositions are disclosed for the treatment of obesity, an overweight condition and compulsive overeating. The pharmaceutical compositions are comprised of a therapeutically effective combination of a nicotine receptor partial agonist and an anti-obesity agent or weight loss facilitator or promoter and a pharmaceutically acceptable carrier. The method of using these compounds is also disclosed.

  本发明公开了用于治疗肥胖症、超重症和强迫性暴饮暴食的药物组合物。这些药物组合物由尼古丁受体部分激动剂和抗肥胖剂或减肥促进剂或促进剂的治疗有效组合以及药学上可接受的载体组成。还公开了使用这些化合物的方法。