8-(3-methyl-butyl)-6,6a,7,8,9,10-hexahydro-4H-4,8,10a-triaza-acephenanthrylene | 1315512-29-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-(3-methyl-butyl)-6,6a,7,8,9,10-hexahydro-4H-4,8,10a-triaza-acephenanthrylene
• 英文别名: 5-(3-Methylbutyl)-2,5,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16),13-tetraene
• CAS: 1315512-29-8
• 化学式: C₁₈H₂₅N₃
• 分子量: 283.417
• InChiKey: FCALCRRTZHDENL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  22.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6,6a,7,8,9,10-hexahydro-4H-pyrazino[1,2-a]pyrrolo[4,3,2-de]quinoline 、 1-溴代异戊烷 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 反应 42.0h， 生成 8-(3-methyl-butyl)-6,6a,7,8,9,10-hexahydro-4H-4,8,10a-triaza-acephenanthrylene
  参考文献：
  名称：

  Novel Aza-analogous Ergoline Derived Scaffolds as Potent Serotonin 5-HT₆ and Dopamine D₂ Receptor Ligands.

  摘要：

  By introducing distal substituents on a tetracyclic scaffold resembling the ergoline structure, two series of analogues were achieved exhibiting subnanomolar receptor binding affinities for the dopamine D-2 and serotonin S-HT6 receptor subtype, respectively. While the S-HT6 ligands were antagonists, the D-2 ligands displayed intrinsic activities ranging from full agonism to partial agonism with low intrinsic activity. These structures could potentially be interesting for treatment of neurological diseases such as schizophrenia, Parkinson's disease, and cognitive deficits.

  DOI：

  10.1021/jm5003759

文献信息

• Novel Aza-analogous Ergoline Derived Scaffolds as Potent Serotonin 5-HT₆ and Dopamine D₂ Receptor Ligands.
  作者：Niels Krogsgaard-Larsen、Anders A. Jensen、Tenna J. Schrøder、Claus. T. Christoffersen、Jan Kehler

  DOI：10.1021/jm5003759

  日期：2014.7.10

  By introducing distal substituents on a tetracyclic scaffold resembling the ergoline structure, two series of analogues were achieved exhibiting subnanomolar receptor binding affinities for the dopamine D-2 and serotonin S-HT6 receptor subtype, respectively. While the S-HT6 ligands were antagonists, the D-2 ligands displayed intrinsic activities ranging from full agonism to partial agonism with low intrinsic activity. These structures could potentially be interesting for treatment of neurological diseases such as schizophrenia, Parkinson's disease, and cognitive deficits.