8-哌嗪-1-基-1,2,3,4-四氢喹啉 | 105685-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 8-哌嗪-1-基-1,2,3,4-四氢喹啉
• 中文别名: 喹啉,1,2,3,4-四氢-8-(1-哌嗪基)-
• 英文名称: 8-(Piperazin-1-yl)-1,2,3,4-tetrahydroquinoline
• 英文别名: 8-piperazin-1-yl-1,2,3,4-tetrahydroquinoline
• CAS: 105685-08-3
• 化学式: C₁₃H₁₉N₃
• 分子量: 217.314
• InChiKey: AIIXRUDXQSEVHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  8-哌嗪-1-基-1,2,3,4-四氢喹啉 在 氢气 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 生成 (3R)-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-(1,2,3,4-tetrahydroquinolin-8-yl)piperazin-1-yl]propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
  参考文献：
  名称：

  Privileged structure-based ligands for melanocortin receptors—tetrahydroquinolines, indoles, and aminotetralines

  摘要：

  Substitution of the aryl sulfonamide moiety contained in MC4 agonist 1 with bicyclic heterocycles and aminotetralines produced compounds with MC4 activity. The heterocycles represent alternative privileged structures to that contained in 1. Compounds in which the polar group of the privileged structure was displayed in an endocyclic fashion were not as active as the parent agonist 1, while those with an exocyclic polar group afforded activity competitive with 1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.035
• 作为产物：
  描述：

  1-(8-喹啉基)哌嗪 在 铂 氢气 、 三氟乙酸 作用下， 生成 8-哌嗪-1-基-1,2,3,4-四氢喹啉
  参考文献：
  名称：

  Privileged structure-based ligands for melanocortin receptors—tetrahydroquinolines, indoles, and aminotetralines

  摘要：

  Substitution of the aryl sulfonamide moiety contained in MC4 agonist 1 with bicyclic heterocycles and aminotetralines produced compounds with MC4 activity. The heterocycles represent alternative privileged structures to that contained in 1. Compounds in which the polar group of the privileged structure was displayed in an endocyclic fashion were not as active as the parent agonist 1, while those with an exocyclic polar group afforded activity competitive with 1. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.035

文献信息

• New pharmaceutical compositions having a psychotropic activity
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0189612A1

  公开（公告）日：1986-08-06

  The invention relates to new compositions with pyscho- tropic activity which comprise a compound of formula 1 as the active substance. The compounds of formula 1 are for the greater part new compounds. The invention therefore also relates to these new compounds and to the preparation thereof in a manner known for the synthesis of analogous compounds.

  该发明涉及具有心理活性的新化合物组合物，其中包括公式1的化合物作为活性物质。公式1的化合物大多数是新化合物。因此，该发明还涉及这些新化合物以及以已知合成类似化合物的方式制备它们。
• US5424313A
  申请人：——

  公开号：US5424313A

  公开（公告）日：1995-06-13
• Privileged structure-based ligands for melanocortin receptors—tetrahydroquinolines, indoles, and aminotetralines
  作者：Matthew J. Fisher、Ryan T. Backer、Saba Husain、Hansen M. Hsiung、Jeffrey T. Mullaney、Thomas P. O’Brian、Paul L. Ornstein、Roger R. Rothhaar、John M. Zgombick、Karin Briner

  DOI：10.1016/j.bmcl.2005.07.035

  日期：2005.10

  Substitution of the aryl sulfonamide moiety contained in MC4 agonist 1 with bicyclic heterocycles and aminotetralines produced compounds with MC4 activity. The heterocycles represent alternative privileged structures to that contained in 1. Compounds in which the polar group of the privileged structure was displayed in an endocyclic fashion were not as active as the parent agonist 1, while those with an exocyclic polar group afforded activity competitive with 1. (c) 2005 Elsevier Ltd. All rights reserved.