2,3,4,4a,5,6-六氢-1H-吡嗪并[1,2-a]喹喔啉 | 73187-21-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2,3,4,4a,5,6-六氢-1H-吡嗪并[1,2-a]喹喔啉
• 中文别名: 1-[(4,4-二甲基-4H-1,3-苯并噻嗪-2-基)甲基]-3-苯基哌嗪-2-酮乙二酸酯
• 英文名称: 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline
• 英文别名: 2,3,4,4a,5,6-Hexahydro-1(H)-pyrazino<1,2-a>chinoxalin；2,3,4,4a,5,6-Hexahydro-1H-pyrazino[1,2-a]quinoxaline
• CAS: 73187-21-0
• 化学式: C₁₁H₁₅N₃
• 分子量: 189.26
• InChiKey: PVOSECZBLPUJLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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：
  27.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,4,4a,5,6-六氢-1H-吡嗪并[1,2-a]喹喔啉 、 4-氯-4'-氟苯丁酮 以67%的产率得到
  参考文献：
  名称：

  KUMAR N.; JAIN P. C.; ANAND N., INDIAN J. CHEM., 1979, B 17, NO 3, 244-245

  摘要：

  DOI：
• 作为产物：
  描述：

  3-benzyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoxaline 以57%的产率得到
  参考文献：
  名称：

  KUMAR N.; JAIN P. C.; ANAND N., INDIAN J. CHEM., 1979, B 17, NO 3, 244-245

  摘要：

  DOI：

文献信息

• 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF
  申请人：Abbisko Therapeutics Co., Ltd.

  公开号：US20220009894A1

  公开（公告）日：2022-01-13

  A 1,2,3,4-tetrahydroquinoxaline derivative having a structure as represented by formula (I), preparation method therefor and application thereof. These compounds can be widely applied to preparation of drugs for treating one or more tumors, cancers, metabolic diseases, autoimmune diseases or disorders, and a new generation of RORγt agonist drugs is expected to be developed.

  一种具有如公式（I）所示结构的1,2,3,4-四氢喹喔啉衍生物，其制备方法及应用。这些化合物可以广泛应用于制备用于治疗一个或多个肿瘤、癌症、代谢性疾病、自身免疫疾病或紊乱的药物，预计将开发出新一代RORγt激动剂药物。
• Substituted pyrazinoquinoxaline derivatives as serotonin receptor agonist and antagonists ligands
  申请人：——

  公开号：US20020177596A1

  公开（公告）日：2002-11-28

  The present invention is directed to novel compounds represented by structural Formulas (I) and (I-a): 1 or a pharmaceutically acceptable salt thereof, wherein R 1 , R 4a , R 4b , R 5 , R 6 , R 7 , R 8 , R 9 , n, and X are described herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain disorders. The compounds of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including obesity, anxiety, depression, psychosis, schizophrenia, sleep and sexual disorders, migraine and other conditions associated with cephalic pain, social phobias, and gastrointestinal disorders such as dysfunction of the gastrointestinal tract motility.

  本发明涉及由结构式（I）和（I-a）表示的新化合物：1或其药学上可接受的盐，其中R1、R4a、R4b、R5、R6、R7、R8、R9、n和X在此处描述。本发明还涉及包含这些新化合物作为活性成分的药物配方，以及利用这些新化合物及其配方治疗某些疾病。本发明的化合物是5-羟色胺激动剂和拮抗剂，可用于控制或预防包括肥胖、焦虑、抑郁、精神病、精神分裂症、睡眠和性功能障碍、偏头痛以及与头痛相关的其他情况、社交恐惧症和胃肠道疾病（如胃肠道运动功能障碍）等中枢神经系统疾病。
• 2,3,4,4a-tetrahydro-1H-pyrazino(1,2-a) quinoxalin-5(6H)one derivatives
  申请人：Wyeth

  公开号：US20040116437A1

  公开（公告）日：2004-06-17

  This invention provides compounds of formula I, 1 wherein R is hydrogen or alkyl of 1-6 carbon atoms; R′ is hydrogen, alkyl of 1-6 carbon atoms, acyl of 2-7 carbon atoms, or aroyl; R 1 , R 2 , R 3 , and R 4 are each, independently, hydrogen, alkyl of 1-6 carbon atoms, alkoxy of 1-6 carbon atoms, halogen, trifluoroalkyl, or trifluoroalkoxy of 1-6 carbon atoms; X is CR 5 R 6 or a carbonyl group; R 5 and R 6 are each, independently, hydrogen or alkyl of 1-6 carbon atoms; or a pharmaceutically acceptable salt thereof, with the proviso that at least two of R 1 , R 2 , R 3 , or R 4 are not hydrogen; which are 5HT 2C receptor agonists useful for the treatment of disorders involving the central nervous system such as obsessive-compulsive disorder, depression, anxiety, schizophrenia, migraine, sleep disorders, eating disorders, obesity, type II diabetes, and epilepsy.

  该发明提供了式I，其中R为氢或1-6个碳原子的烷基；R′为氢，1-6个碳原子的烷基，2-7个碳原子的酰基或芳基；R1、R2、R3和R4分别独立地为氢，1-6个碳原子的烷基，1-6个碳原子的烷氧基，卤素，三氟甲基或1-6个碳原子的三氟甲氧基；X为CR5R6或羰基基团；R5和R6分别独立地为氢或1-6个碳原子的烷基；或其药学上可接受的盐，但至少有两个R1、R2、R3或R4不是氢。这些化合物是5HT2C受体激动剂，可用于治疗涉及中枢神经系统的疾病，如强迫症、抑郁症、焦虑症、精神分裂症、偏头痛、睡眠障碍、进食障碍、肥胖症、2型糖尿病和癫痫。
• 2,3,4,4a-Tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5(6H)one derivatives
  申请人：Wyeth

  公开号：US20030060468A1

  公开（公告）日：2003-03-27

  This invention provides compounds of formula I, 1 R is hydrogen or alkyl of 1-6 carbon atoms; R′ is hydrogen, alkyl of 1-6 carbon atoms, acyl of 2-7 carbon atoms, or aroyl; R 1 , R 2 , R 3 , and R 4 are each, independently, hydrogen, alkyl of 1-6 carbon atoms, alkoxy of 1-6 carbon atoms, halogen, trifluoroalkyl, —CN, alkyl sulfonamide of 1-6 carbon atoms, alkyl amide of 1-6 carbon atoms, amino, alkylamino of 1-6 carbon atoms, dialkylamino of 1-6 carbon atoms per alkyl moiety, trifluoroalkoxy of 1-6 carbon atoms, acyl of 2-7 carbon atoms, or aroyl; X is CR 5 R 6 or a carbonyl group; R 5 and R 6 are each, independently, hydrogen or alkyl of 1-6 carbon atoms; or a pharmaceutically acceptable salt thereof, with the proviso that at least one of R 1 , R 2 , R 3 , or R 4 are not hydrogen; which are 5HT 2C receptor agonists useful for the treatment of disorders involving the central nervous system such as obsessive-compulsive disorder, depression, anxiety, schizophrenia, migraine, sleep disorders, eating disorders, obesity, type II diabetes, and epilepsy.

  该发明提供了I式化合物，其中1R为氢或1-6碳原子的烷基；R′为氢，1-6碳原子的烷基，2-7碳原子的酰基或芳基；R1、R2、R3和R4各自独立地为氢、1-6碳原子的烷基、1-6碳原子的烷氧基、卤素、三氟甲基、—CN、1-6碳原子的烷基磺酰胺、1-6碳原子的烷基酰胺、氨基、1-6碳原子的烷基氨基、1-6碳原子的二烷基氨基、每个烷基部分的三氟甲氧基、2-7碳原子的酰基或芳基；X为CR5R6或羰基基团；R5和R6各自独立地为氢或1-6碳原子的烷基；或其药学上可接受的盐，但至少R1、R2、R3或R4中的一个不为氢；这些化合物是5HT2C受体激动剂，用于治疗涉及中枢神经系统的疾病，如强迫症、抑郁症、焦虑症、精神分裂症、偏头痛、睡眠障碍、进食障碍、肥胖症、2型糖尿病和癫痫。
• INDOLE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Sard Howard

  公开号：US20090318527A1

  公开（公告）日：2009-12-24

  Novel indole compounds are disclosed. Also disclosed are methods for using the compounds to treat human and animal disease, pharmaceutical compositions of the compounds, and kits including the compounds.

  本发明涉及新的吲哚化合物。本发明还公开了使用这些化合物治疗人类和动物疾病的方法，这些化合物的制药组合物以及包括这些化合物的试剂盒。