methyl 5-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-2-carboxylate | 1016540-84-3

• 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: methyl 5-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-2-carboxylate
• CAS: 1016540-84-3
• 化学式: C₃₀H₃₀N₆O₃Se
• 分子量: 601.567
• InChiKey: GTNKKBJVHXFURW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.22
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 5-((4-butyl-2-methyl-6-oxo-5-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pyrimidin-1(6H)-yl)methyl)selenophene-2-carboxylate 在 甲醇 作用下， 生成 methyl 5-[[4-butyl-2-methyl-6-oxo-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-1-yl]methyl]selenophene-2-carboxylate
  参考文献：
  名称：

  Selenosartans: Novel selenophene analogues of milfasartan and eprosartan

  摘要：

  A series of selenophene analogues of the thiophene-containing anti hypertensives milfasartan and eprosartan were prepared and tested for AT(1) receptor antagonist properties. All four selenophene compounds proved to be potent AT(1) receptor antagonists, with pK(B) estimates indicating that these selenides are at least as effective as the thiophene parent compounds at blocking AT(1) receptor mediated responses. These results reveal that replacement of sulfur with selenium in thiophene-containing sartans does not interfere with sartan activity. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.136

文献信息

• Selenosartans: Novel selenophene analogues of milfasartan and eprosartan
  作者：Rebecca L. Grange、James Ziogas、Andrea J. North、James A. Angus、Carl H. Schiesser

  DOI：10.1016/j.bmcl.2007.11.136

  日期：2008.2

  A series of selenophene analogues of the thiophene-containing anti hypertensives milfasartan and eprosartan were prepared and tested for AT(1) receptor antagonist properties. All four selenophene compounds proved to be potent AT(1) receptor antagonists, with pK(B) estimates indicating that these selenides are at least as effective as the thiophene parent compounds at blocking AT(1) receptor mediated responses. These results reveal that replacement of sulfur with selenium in thiophene-containing sartans does not interfere with sartan activity. (C) 2007 Elsevier Ltd. All rights reserved.