2-[2-(4-苯基甲氧基苯氧基)乙基]吲唑 | 88670-79-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 2-[2-(4-苯基甲氧基苯氧基)乙基]吲唑
• 英文名称: 2-<2-<4-(benzyloxy)phenoxy>ethyl>-2H-indazole
• 英文别名: 2-(2-(4-(Benzyloxy)phenoxy)ethyl)-2H-indazole；2-[2-(4-phenylmethoxyphenoxy)ethyl]indazole
• CAS: 88670-79-5
• 化学式: C₂₂H₂₀N₂O₂
• 分子量: 344.413
• InChiKey: TXDQFTBWFFCADB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  吲唑 、 1-苄氧基-4-(2-溴乙氧基)苯 在 sodium hydride 作用下， 生成 2-[2-(4-苯基甲氧基苯氧基)乙基]吲唑 、 1-[2-(4-苯基甲氧基苯氧基)乙基]吲唑
  参考文献：
  名称：

  .beta.1-Selective adrenoceptor antagonists. 3. 4-Azolyl linked phenoxypropanolamines

  摘要：

  A series of 4-substituted phenoxypropanolamines has been prepared and examined for beta-adrenoceptor activity. The 4-substituents, di- and triazole ring systems connected to the phenoxy ring by different length chains, were chosen as a means of introducing cardioselectivity. This has been achieved, especially in the 1-[4-[(4-chloropyrazol-1-yl)methoxy] phenoxy]-3-(isopropylamino)-2-propanol (11), the 4-[(2H-1,2,3-triazol-2-yl)methoxy] analogue (21), and the 4-[2-(2H-1,2,3-triazol-2-yl)ethoxy] analogue (22), which show potent beta 1-blockade with selectivity ratios in excess of 100:1. Structure-activity relationships are discussed, and the optimum position of the heteroatom in the 4-substituent is defined.

  DOI：

  10.1021/jm00370a012

文献信息

• .beta.1-Selective adrenoceptor antagonists. 3. 4-Azolyl linked phenoxypropanolamines
  作者：Peter J. Machin、David N. Hurst、Rachel M. Bradshaw、Leslie C. Blaber、David T. Burden、Rosemary A. Melarange

  DOI：10.1021/jm00370a012

  日期：1984.4

  A series of 4-substituted phenoxypropanolamines has been prepared and examined for beta-adrenoceptor activity. The 4-substituents, di- and triazole ring systems connected to the phenoxy ring by different length chains, were chosen as a means of introducing cardioselectivity. This has been achieved, especially in the 1-[4-[(4-chloropyrazol-1-yl)methoxy] phenoxy]-3-(isopropylamino)-2-propanol (11), the 4-[(2H-1,2,3-triazol-2-yl)methoxy] analogue (21), and the 4-[2-(2H-1,2,3-triazol-2-yl)ethoxy] analogue (22), which show potent beta 1-blockade with selectivity ratios in excess of 100:1. Structure-activity relationships are discussed, and the optimum position of the heteroatom in the 4-substituent is defined.