(3,5-di-tert-butyl-4-hydroxyphenyl)-acetic acid 2-butyl-5-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-yl methyl ester | 1195777-21-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (3,5-di-tert-butyl-4-hydroxyphenyl)-acetic acid 2-butyl-5-chloro-3-[2'-(2-trityl-2H-tetrazol-5-yl)biphenyl-4-ylmethyl]-3H-imidazol-4-yl methyl ester
• 英文别名: [2-Butyl-5-chloro-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
• CAS: 1195777-21-9
• 化学式: C₅₇H₅₉ClN₆O₃
• 分子量: 911.587
• InChiKey: QBSGBIMYNZEECR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.9
• 重原子数：
  67
• 可旋转键数：
  18
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (3,5-di-tert-butyl-4-hydroxyphenyl)-acetic 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31%的产率得到(3,5-di-tert-butyl-4-hydroxy-phenyl)acetic 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
• 作为产物：
  描述：

  3,5-二叔丁基-4-羟基苯乙酸 、 三苯甲基洛沙坦 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 乙醚 为溶剂， 反应 12.0h， 以63%的产率得到(3,5-di-tert-butyl-4-hydroxyphenyl)-acetic acid 2-butyl-5-chloro-3-[2'-(2-trityl-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

文献信息

• Losartan-Antioxidant Hybrids: Novel Molecules for the Prevention of Hypertension-Induced Cardiovascular Damage
  作者：Gonzalo García、Manuel Rodríguez-Puyol、Ramón Alajarín、Isabel Serrano、Patricia Sánchez-Alonso、Mercedes Griera、Juan J. Vaquero、Diego Rodríguez-Puyol、Julio Álvarez-Builla、María L. Díez-Marqués

  DOI：10.1021/jm9003957

  日期：2009.11.26

  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.