1,3,4,6,11,11a-Hexahydro-2H-piperazino<1,2-b>isochinolin | 50290-83-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1,3,4,6,11,11a-Hexahydro-2H-piperazino<1,2-b>isochinolin
• 英文别名: 1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinoline；2,3,4,6,11,11A-Hexahydro-1H-pyrazino[1,2-B]isoquinoline
• CAS: 50290-83-0
• 化学式: C₁₂H₁₆N₂
• 分子量: 188.272
• InChiKey: PDVVHMJWNSCZSI-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

反应信息

• 作为反应物：
  描述：

  1,3,4,6,11,11a-Hexahydro-2H-piperazino<1,2-b>isochinolin 生成 2-(4-methyl-piperazine-1-carbonyl)-1,3,4,6,11,11a-hexahydro-2H-pyrazino[1,2-b]isoquinoline
  参考文献：
  名称：

  SINGH H.; SHARMA S.; IYER R. N.; ANAND N., INDIAN J. CHEM. , 1977, B 15, NO 1, 70-72

  摘要：

  DOI：
• 作为产物：
  描述：

  1.3.4.6.11.11a-Hexahydro-2H-pyrazino<1.2-b>isochinolin-on-(1) 、 氢化铝锂 以88%的产率得到
  参考文献：
  名称：

  SAXENA A. K.; JAIN P.C.; ANAND N., INDIAN J. CHEM. , 1975, 13, NO 3, 230-237

  摘要：

  DOI：

文献信息

• Synthesis, biological evaluation, and quantitative structure-activity relationship analysis of [.beta.-(aroylamino)ethyl]piperazines and -piperidines and [2-[(arylamino)carbonyl]ethyl]piperazines, -piperidines, -pyrazinopyridoindoles, and -pyrazinoisoquinolines. A new class of potent H1 antagonists
  作者：Mridula Saxena、Shiv K. Agarwal、G. K. Patnaik、Anil K. Saxena

  DOI：10.1021/jm00173a011

  日期：1990.11

  Some [beta-(Aroylamino)ethyl]piperazines and -piperidines and [2-[(Arylamino)carbonyl]ethyl]piperazines, -piperidines, -pyrazinopyridoindoles, and -pyrazinoisoquinolines have been synthesized and their H1-antagonistic activity studied in isolated guinea pig ileum. Quantitative structure-activity relationship analysis indicates that the hydrophobicity of the side chain of these compounds plays a major

  已经合成了一些[β-（芳酰基氨基）乙基]哌嗪和-哌啶和[2-[（芳基氨基羰基]乙基]哌嗪，-哌啶，-吡嗪并吡啶并吲哚和-吡嗪并异喹啉，并在分离的豚鼠中研究了它们的H1-拮抗活性。回肠。定量的构效关系分析表明，这些化合物侧链的疏水性在其活性中起主要作用，而空间和电子因素则次要。所有这些化合物都作用于共同的受体，并似乎与该受体发生类似的相互作用。
• ANNELATED CARBAMOYLASE-HETEROCYCLES, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE PRODUCTION THEREOF
  申请人："Chemical diversity Research Institute", Ltd.

  公开号：EP1746100A1

  公开（公告）日：2007-01-24

  This invention relates to novel annellated carbamyl-aza-heterocyclic compounds that are potential physiologically active compounds (agonists, antagonists, and receptor modulators, enzyme inhibitors, oncolytics, antibacterial and antiparasitic agents, and so on), to a focused library comprising annellated carbamyl-aza-heterocyclic compounds, a pharmaceutical composition comprising annellated carbamyl-aza-heterocyclic compounds as the active ingredient, and to methods of producing and using the same. The invention relates to annellated carbamyl-aza-heterocyclic compounds of general formula 1: wherein: W is 6-oxopiperazine, [1,4]diazepan, [1,4]thiazepan or [1,4]oxazepan compound annellated to at least one optionally substituted and optionally condensed heterocyclic compound Q; R1, R2 and R3 are, independently of one another, a hydrogen atom, an inert substituent, an optionally substituted C1-C6 alkyl, an optionally substituted C3-C8 cycloalkyl, an optionally substituted phenyl, an optionally substituted aryl, or an optionally substituted heterocyclyl; and Q is a pyrrole, pyrazole, imidazole, thiazole, pyrrolidine, indole, benzofuran, 4,5,6,7-tetrahydrobenzothiophene, thieno[3,2-b]pyrrole, furo[3,2-b]pyrrole, thieno[2,3-b]pyrrole, benzimidazole, pyridine, quinoline, or 1,2,3,4-tetrahydroisoquinoline cyclic compound.

  本发明涉及新型的环化碳酰胺-氮杂杂环化合物，这些化合物是潜在的生理活性化合物（激动剂、拮抗剂和受体调节剂、酶抑制剂、抗肿瘤剂、抗菌和抗寄生虫剂等），还涉及一种包括环化碳酰胺-氮杂杂环化合物的焦点库、一种包括环化碳酰胺-氮杂杂环化合物作为活性成分的制药组合物，以及制备和使用这些化合物的方法。本发明涉及一般式1的环化碳酰胺-氮杂杂环化合物：其中：W是6-氧代哌嗪、[1,4]二氮杂环、[1,4]硫杂环或[1,4]噁唑杂环化合物，环化到至少一个可选取代和可选缩合的杂环化合物Q；R1、R2和R3独立地是氢原子、惰性取代基、可选取代的C1-C6烷基、可选取代的C3-C8环烷基、可选取代的苯基、可选取代的芳基或可选取代的杂环基；Q是吡咯、吡唑、咪唑、噻唑、吡咯烷、吲哚、苯并呋喃、4,5,6,7-四氢苯并噻吩、噻吩[3,2-b]吡咯、呋吒[3,2-b]吡咯、噻吩[2,3-b]吡咯、苯并咪唑、吡啶、喹啉或1,2,3,4-四氢异喹啉环化合物。
• Fused-polycyclic compounds
  申请人：——

  公开号：US20040204418A1

  公开（公告）日：2004-10-14

  The present invention provides a novel a condensed polycyclic compound useful as a phosphodiesterase 4 inhibitor, which is shown by the formula [I]: 1 or a pharmaceutically acceptable salt thereof and a pharmaceutical composition containing the same.

  本发明提供了一种新型的紧凑多环化合物，用作磷酸二酯酶4抑制剂，其由式(I)所示：其中R1，R2，R3，R4，R5和R6如上所述，或其药学上可接受的盐，并且还提供了含有该化合物的制药组合物。
• Condensed polycyclic compounds
  申请人：Ukita Tatsuzo

  公开号：US20070004739A1

  公开（公告）日：2007-01-04

  The present invention provides a novel a condensed polycyclic compound useful as a phosphodiesterase 4 inhibitor, which is shown by the formula [I]: or a pharmaceutically acceptable salt thereof and a pharmaceutical composition containing the same.

  本发明提供了一种新型的紧凑型多环化合物，可用作磷酸二酯酶4抑制剂，其由式[I]所示：或其药学上可接受的盐以及含有该化合物的制药组合物。
• Rao, Jyoti; Saxena, Anil K.; Saxena, R. M., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1987, vol. 26, # 1-12, p. 761 - 765
  作者：Rao, Jyoti、Saxena, Anil K.、Saxena, R. M.、Singh, H. K.、Kar, K.、Srimal, R. C.

  DOI：——

  日期：——