butyl ({5-isobutyl-3-[4-({4-oxo-2-propyl-6-[(2-thienylcarbonyl)amino]-3(4H)-quinazolinyl}methyl)phenyl]-2-thienyl}sulfonyl)carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: butyl ({5-isobutyl-3-[4-({4-oxo-2-propyl-6-[(2-thienylcarbonyl)amino]-3(4H)-quinazolinyl}methyl)phenyl]-2-thienyl}sulfonyl)carbamate
• 英文别名: N-Butyloxycarbonyl-5-isobutyl-3-(4-{6-[(thiophene-2-carbonyl)-amino]-4-oxo-2-propyl-4H-quinazolin-3-ylmethyl}phenyl)-thiophene-2-sulfonamide；butyl N-[5-(2-methylpropyl)-3-[4-[[4-oxo-2-propyl-6-(thiophene-2-carbonylamino)quinazolin-3-yl]methyl]phenyl]thiophen-2-yl]sulfonylcarbamate
• 化学式: C₃₆H₄₀N₄O₆S₃
• 分子量: 720.935
• InChiKey: FMLPHTMNHWCUHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  49
• 可旋转键数：
  15
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  199
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-异丁基-2-(N-叔丁基氨基磺酰基)噻吩-3-硼酸 在 palladium on activated charcoal 吡啶 、 sodium hydroxide 、 四(三苯基膦)钯 、 2-(吡咯烷-1-基)吡啶 、 甲酸铵 、 苯甲醚 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 4.5h， 生成 butyl ({5-isobutyl-3-[4-({4-oxo-2-propyl-6-[(2-thienylcarbonyl)amino]-3(4H)-quinazolinyl}methyl)phenyl]-2-thienyl}sulfonyl)carbamate
  参考文献：
  名称：

  First Reported Nonpeptide AT₁ Receptor Agonist (L-162,313) Acts as an AT₂ Receptor Agonist in Vivo

  摘要：

  In this investigation, it is demonstrated that the first nonpeptide AT, receptor agonist L-162,313 (1), disclosed in 1994, also acts as an agonist at the AT(2) receptor. In anesthetized rats, administration of compound 1 intravenously or locally in the duodenum increased duodenal mucosal alkaline secretion, effects that were sensitive to the selective AT2 receptor antagonist PD-123,319. The data strongly suggest that 1 is an AT2 receptor agonist in vivo. To the best of our knowledge, this substance is the first nonpeptidic low-molecular weight compound with an agonistic effect mediated through the AT2 receptor.

  DOI：

  10.1021/jm031031i

文献信息

• First Reported Nonpeptide AT₁ Receptor Agonist (L-162,313) Acts as an AT₂ Receptor Agonist in Vivo
  作者：Yiqian Wan、Charlotta Wallinder、Berndt Johansson、Mathias Holm、Mahalingam A. K.、Xiongyu Wu、Milad Botros、Anders Karlén、Anders Pettersson、Fred Nyberg、Lars Fändriks、Anders Hallberg、Mathias Alterman

  DOI：10.1021/jm031031i

  日期：2004.3.1

  In this investigation, it is demonstrated that the first nonpeptide AT, receptor agonist L-162,313 (1), disclosed in 1994, also acts as an agonist at the AT(2) receptor. In anesthetized rats, administration of compound 1 intravenously or locally in the duodenum increased duodenal mucosal alkaline secretion, effects that were sensitive to the selective AT2 receptor antagonist PD-123,319. The data strongly suggest that 1 is an AT2 receptor agonist in vivo. To the best of our knowledge, this substance is the first nonpeptidic low-molecular weight compound with an agonistic effect mediated through the AT2 receptor.