4-[3-[ethyl-[2-(1H-imidazol-5-yl)ethyl]amino]butyl]phenol | 126376-97-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-[3-[ethyl-[2-(1H-imidazol-5-yl)ethyl]amino]butyl]phenol
• CAS: 126376-97-4
• 化学式: C₁₇H₂₅N₃O
• 分子量: 287.405
• InChiKey: UJLHXSWZEGEWNE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-{3-[2-(1H-Imidazol-4-yl)-ethylamino]-butyl}-phenol 生成 4-[3-[ethyl-[2-(1H-imidazol-5-yl)ethyl]amino]butyl]phenol
  参考文献：
  名称：

  LAMPE, JOHN W.;HANNA, REDA G.;PISCITELLI, THOMAS A.;CHOU, YUO-LING;ERHARD+, J. MED. CHEM., 33,(1990) N, C. 1688-1697

  摘要：

  DOI：

文献信息

• Cardiotonic agents. 6. Histamine analogs as potential cardiovascular selective H2 agonists
  作者：John W. Lampe、Reda G. Hanna、Thomas A. Piscitelli、Yuo Ling Chou、Paul W. Erhardt、William C. Lumma、Stanley S. Greenberg、William R. Ingebretsen、Dennis C. Marshall、Jay Wiggins

  DOI：10.1021/jm00168a024

  日期：1990.6

  Twenty-six alkyl and aralkyl histamine analogues were prepared as potential cardiotonic agents. Compounds were designed to allow interaction with a putative secondary aryl binding site at the H2 receptor, the presence of which was inferred from the structure of cyprohepatadine, which is known to have H2-antagonist properties. The compounds were examined for inotropic activity in ferret papillary muscle. Potent inotropic activity was generally found in N-alkyl- and N,N-dialkylimidazole-4-ethanamines, whereas N-(amidoalkyl)imidazole-4-ethanamines and N-alkylimidazole-4-propanamines were at best weakly active. Five compounds were examined in screens designed to assess hemodynamic effects and gastric acid secretion in vivo. Two of these compounds, alpha-(3-phenyl-2-transpropenyl)-1H-imidazole-4-ethanamine and N-heptyl-1H-imidazole-4-ethanamine, showed positive inotropic activity with minimal effects on heart rate and mean arterial pressure in vivo; however, both compounds were found to stimulate gastric acid secretion. These results demonstrate that selectivity between various H2-receptor-mediated activities can be obtained with substituted histamine analogues.
• LAMPE, JOHN W.;HANNA, REDA G.;PISCITELLI, THOMAS A.;CHOU, YUO-LING;ERHARD+, J. MED. CHEM., 33,(1990) N, C. 1688-1697
  作者：LAMPE, JOHN W.、HANNA, REDA G.、PISCITELLI, THOMAS A.、CHOU, YUO-LING、ERHARD+

  DOI：——

  日期：——