2,3,4,6,7,11b-六氢-1H-吡嗪o[2,1-a]异喹啉 | 5234-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 中文名称: 2,3,4,6,7,11b-六氢-1H-吡嗪o[2,1-a]异喹啉
• 英文名称: 1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline
• 英文别名: Azaquinzole；2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
• CAS: 5234-86-6
• 化学式: C₁₂H₁₆N₂
• mdl: MFCD00868587
• 分子量: 188.272
• InChiKey: SCVCXWHEHAKJCG-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：
  0.5
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  2,3,4,6,7,11b-六氢-1H-吡嗪o[2,1-a]异喹啉 、 环丁基甲酰氯 以 二氯甲烷 为溶剂， 以35%的产率得到cyclobutyl-(3,4,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2(11bH)-yl)methanone
  参考文献：
  名称：

  Synthesis and SAR Studies of Praziquantel Derivatives with Activity against Schistosoma japonicum

  摘要：

  本文介绍了对日本血吸虫成虫具有活性的吡喹酮衍生物的合成和结构-活性关系（SAR）研究。其中一些衍生物显示出比吡喹酮更好的杀虫活性，可作为进一步优化的线索。

  DOI：

  10.3390/molecules18089163
• 作为产物：
  描述：

  吡喹酮 在 盐酸 、 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 10.0h， 生成 2,3,4,6,7,11b-六氢-1H-吡嗪o[2,1-a]异喹啉
  参考文献：
  名称：

  Synthesis and SAR Studies of Praziquantel Derivatives with Activity against Schistosoma japonicum

  摘要：

  本文介绍了对日本血吸虫成虫具有活性的吡喹酮衍生物的合成和结构-活性关系（SAR）研究。其中一些衍生物显示出比吡喹酮更好的杀虫活性，可作为进一步优化的线索。

  DOI：

  10.3390/molecules18089163

文献信息

• IL-17 Ligands And Uses Thereof
  申请人：DICE Molecules SV LLC.

  公开号：US20200247785A1

  公开（公告）日：2020-08-06

  Provided herein are novel ligands and pharmaceutical compositions thereof which modulate IL-17A. Also provided are methods for preparing the IL-17A modulators. Such compounds may be useful in the treatment and/or prevention of, for example, inflammation, cancer or autoimmune disease.

  本文提供了新型配体及其药物组合物，可调节IL-17A。还提供了制备IL-17A调节剂的方法。这些化合物可能在治疗和/或预防炎症、癌症或自身免疫疾病等方面有用。
• PROCESS FOR THE PREPARATION OF PRAZIQUANTEL
  申请人：SEQUENT SCIENTIFIC LIMITED

  公开号：US20130289275A1

  公开（公告）日：2013-10-31

  The present disclosure describes a novel, cost-effective process for preparation of a 4-oxo-1,2,3,6,7,11b-hexahydro-4H-pyrazino-[2,1-a]isoquinoline derivatives. Specifically, it discloses a process for the preparation of the anthelmintic drug praziquantel through the use of a novel intermediate, 2-[(2,2-dimethoxyethyl)benzyl amino]-N-phenethylacetamide. This present disclosure also describes a novel crystalline form of 4-oxo-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoline.

  本公开说明描述了一种新颖、具有成本效益的制备4-氧代-1,2,3,6,7,11b-六氢-4H-吡嗪[2,1-a]异喹啉衍生物的工艺。具体而言，它揭示了一种通过使用新型中间体2-[(2,2-二甲氧基乙基)苯基甲基] -N-苯乙酰胺制备抗蠕虫药普鲁奎酮的工艺。本公开说明还描述了一种新颖的晶体形式4-氧代-1,2,3,6,7,11b-六氢-4H-吡嗪[2,1-a]异喹啉。
• 2-(CYCLIC AMINO)-PYRIMIDONE DERIVATIVES
  申请人：Fukunaga Kenji

  公开号：US20090233918A1

  公开（公告）日：2009-09-17

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof: wherein R 2 represents a hydrogen or the like; R 3 represents methyl group or the like; R 20 represents a halogen atom or the like; q represents an integer of 0 to 3; Z represent nitrogen atom, CH, or the like; R 4 represents hydrogen or the like; R 5 represents hydrogen or the like; R 6 represents a substituted alkyloxy and the like; p represents an integer of 0 to 3; X represents bond, CH 2 , oxygen atom, NH, or the like; any one or more of R 5 and R 6 , R 5 and R 4 , R 6 and R 4 , X and R 5 , X and R 4 , X and R 6 , and R 6 and R 6 may combine to each other to form a ring, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为（I），其手性异构体或药物可接受的盐：其中，R2代表氢或类似物；R3代表甲基基团或类似物；R20代表卤素原子或类似物；q表示0到3的整数；Z代表氮原子，CH或类似物；R4代表氢或类似物；R5代表氢或类似物；R6代表取代的烷氧基或类似物；p表示0到3的整数；X代表键，CH2，氧原子，NH或类似物；R5和R6，R5和R4，R6和R4，X和R5，X和R4，X和R6以及R6和R6中的任何一个或多个可以结合形成环，用于预防和/或治疗由tau蛋白激酶1过度活化引起的疾病，例如神经退行性疾病（例如阿尔茨海默病）。
• 2-(cyclic amino)-pyrimidone derivatives
  申请人：Fukunaga Kenji

  公开号：US08569294B2

  公开（公告）日：2013-10-29

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof: wherein R2 represents a hydrogen or the like; R3 represents methyl group or the like; R20 represents a halogen atom or the like; q represents an integer of 0 to 3; Z represent nitrogen atom, CH, or the like; R4 represents hydrogen or the like; R5 represents hydrogen or the like; R6 represents a substituted alkyloxy and the like; p represents an integer of 0 to 3; X represents bond, CH2, oxygen atom, NH, or the like; any one or more of R5 and R6, R5 and R4, R6 and R4, X and R5, X and R4, X and R6, and R6 and R6 may combine to each other to form a ring, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为（I），其手性异构体或其药学上可接受的盐：其中，R2代表氢或类似物；R3代表甲基基团或类似物；R20代表卤素原子或类似物；q代表0到3的整数；Z代表氮原子，CH或类似物；R4代表氢或类似物；R5代表氢或类似物；R6代表取代的烷氧基或类似物；p代表0到3的整数；X代表键，CH2，氧原子，NH或类似物；R5和R6，R5和R4，R6和R4，X和R5，X和R4，X和R6以及R6和R6中的任意一个或多个可以相互组合形成环，用于预防和/或治疗由tau蛋白激酶1过度活化引起的疾病，例如神经退行性疾病（例如阿尔茨海默病）。
• 2-(cyclic amino)-pyrimidone derivatives as TPK1 inhibitors
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2423207A2

  公开（公告）日：2012-02-29

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof: wherein R2 represents a hydrogen or the like; R3 represents methyl group or the like; R20 represents a halogen atom or the like; q represents an integer of 0 to 3; Z represent nitrogen atom, CH, or the like; R4 represents hydrogen or the like; R5 represents hydrogen or the like; R6 represents a substituted alkyloxy and the like; p represents an integer of 0 to 3; X represents bond, CH2, oxygen atom, NH, or the like; any one or more of R5 and R6, R5 and R4, R6 and R4, X and R5, X and R4, X and R6, and R3 and R6 may combine to each other to form a ring, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  式 (I) 所代表的化合物、其光学活性异构体或其药用盐： 其中 R2 代表氢或类似物；R3 代表甲基或类似物；R20 代表卤原子或类似物；q 代表 0 至 3 的整数；Z 代表氮原子、CH 或类似物；R4 代表氢或类似物；R5 代表氢或类似物；R6 代表取代的烷氧基或类似物；p 代表 0 至 3 的整数；X代表键、CH2、氧原子、NH或类似物；R5和R6、R5和R4、R6和R4、X和R5、X和R4、X和R6、R3和R6中的任意一个或多个可相互结合形成环，用于预防和/或治疗由tau蛋白激酶1亢进引起的疾病，如神经退行性疾病（如阿尔茨海默病）。如阿尔茨海默病）。