1,2,3,4,5,6,7,12b-octahydropyrido<2',3':2,3>pyrrolo<4,5-a>quinolizine | 112114-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 1,2,3,4,5,6,7,12b-octahydropyrido<2',3':2,3>pyrrolo<4,5-a>quinolizine
• 英文别名: 1,2,3,4,6,7,12,12b-octahydropyrido[3',2':4,5]pyrrolo[2,3-a]quinolizine；7,15,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11(16),12,14-tetraene
• CAS: 112114-05-3
• 化学式: C₁₄H₁₇N₃
• 分子量: 227.309
• InChiKey: QCUFMOWEXODOQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  31.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(2-piperidin-1-yl-ethyl)-1H-pyrrolo[2,3-b]pyridine 在 ammonium hydroxide 、 sodium tetrahydroborate 、 乙二胺四乙酸 、 mercury(II) diacetate 作用下， 生成 1,2,3,4,5,6,7,12b-octahydropyrido<2',3':2,3>pyrrolo<4,5-a>quinolizine
  参考文献：
  名称：

  Application of the Mercuric Acetate-Edetic Acid Oxidation Method to the Synthesis of 11-Aza-1,2,3,4,5,6,7,12b-octahydroindolo[2,3-a]quinolizines

  摘要：

  The synthesis of 11-azaindolo[2,3-a]quinolizidines such as 2 is reported by cyclisation of lactams (1a) or piperidines (1b).

  DOI：

  10.3987/com-96-7605

文献信息

• Structure-affinity relationships of arylquinolizines at .alpha.-adrenoceptors
  作者：Joel R. Huff、John J. Baldwin、S. Jane DeSolms、James P. Guare、Cecilia A. Hunt、William C. Randall、William S. Sanders、Steven J. Smith、Joseph P. Vacca、Matthew M. Zrada

  DOI：10.1021/jm00398a025

  日期：1988.3

  Hexahydroaryl[a]quinolizines comprise a prominent structural element in several alpha 2-adrenoceptor antagonists. Eight hexahydroheteroarylquinolizines were prepared as minimal ligands to investigate the relationship between the nature of the aromatic ring and affinity of these molecules for alpha-adrenoceptors. Affinity for alpha 1-and alpha 2-adrenoceptors was assessed by displacement of [3H]prasozin and [3H]clonidine, respectively. Lipophilicity of the aryl portion of the molecules, reflected by their partition coefficient between octanol and pH 7.4 buffer, correlated well with affinity at both receptor subtypes. Although some compounds showed nanomolar affinity for alpha-adrenoceptors, no subtype selectivity was observed. These results suggest that the aromatic ring enhances binding at both receptors chiefly through hydrophobic interactions and contributes little to subtype selectivity.
• HUFF, JOEL R.;BALDWIN, JOHN J.;DESOLMS, S. JANE;GUARE, JAMES P. , JR.;HUN+, J. MED. CHEM., 31,(1988) N 3, 641-645
  作者：HUFF, JOEL R.、BALDWIN, JOHN J.、DESOLMS, S. JANE、GUARE, JAMES P. , JR.、HUN+

  DOI：——

  日期：——
• Application of the Mercuric Acetate-Edetic Acid Oxidation Method to the Synthesis of 11-Aza-1,2,3,4,5,6,7,12b-octahydroindolo[2,3-a]quinolizines
  作者：Yves Blache、Mohammed Hichour、Olivier Chavignon、Alain Gueiffier、Jean-Claude Teulade、Gerard Dauphin、Jean-Pierre Chapat

  DOI：10.3987/com-96-7605

  日期：——

  The synthesis of 11-azaindolo[2,3-a]quinolizidines such as 2 is reported by cyclisation of lactams (1a) or piperidines (1b).