6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid 2-butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-yl methyl ester | 881691-37-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid 2-butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-yl methyl ester
• 英文别名: [2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
• CAS: 881691-37-8
• 化学式: C₃₆H₃₉ClN₆O₄
• 分子量: 655.196
• InChiKey: UWMUSNFEUBBYGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  47
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid 2-butyl-5-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-yl methyl ester 在 platinum on carbon 、 氢气 作用下， 20.0 ℃ 、101.33 kPa 条件下， 反应 24.0h， 以36%的产率得到6-hydroxy-2,5,7,8-tetramethyl-chroman-2-carboxylic acid 2-butyl-5-chloro-3-[2'-(2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-yl methyl ester
  参考文献：
  名称：

  Losartan-Antioxidant Hybrids: Novel Molecules for the Prevention of Hypertension-Induced Cardiovascular Damage

  摘要：

  We report the first examples of a new series of antioxidant-sartan hybrids (AO-sartans), which were made by adding an antioxidant fragment to the hydroxymethyl side chain of losartan. Experiments performed in cultured cells demonstrate that these new hybrids retain the ability to block the angiotensin II effect with increased antioxidant ability. In hypertensive rats, these compounds show properties that suggest they may be more useful than losartan for controlling hypertension and preventing hypertension-induced cardiovascular damage.

  DOI：

  10.1021/jm9003957