butyl N-({5-benzyl-2-[4-(diethylcarbamoyl)phenyl]benzene}sulfonyl)carbamate | 1059104-43-6

• 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: butyl N-({5-benzyl-2-[4-(diethylcarbamoyl)phenyl]benzene}sulfonyl)carbamate
• 英文别名: butyl N-[5-benzyl-2-[4-(diethylcarbamoyl)phenyl]phenyl]sulfonylcarbamate
• CAS: 1059104-43-6
• 化学式: C₂₉H₃₄N₂O₅S
• 分子量: 522.665
• InChiKey: LFUYQWOQSKHFHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 氯甲酸丁酯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以112 mg的产率得到butyl N-({5-benzyl-2-[4-(diethylcarbamoyl)phenyl]benzene}sulfonyl)carbamate
  参考文献：
  名称：

  Selective angiotensin II AT2 receptor agonists: Benzamide structure–activity relationships

  摘要：

  In the investigation of the structure-activity relationship of nonpeptide AT(2) receptor agonists, a series of substituted benzamide analogues of the selective nonpeptide AT(2) receptor agonist M024 have been synthesised. In a second series, the biphenyl scaffold was compared to the thienylphenyl scaffold and the impact of the isobutyl substituent and its position on AT(1)/AT(2) receptor selectivity was also investigated. Both series included several compounds with high af. nity and selectivity for the AT(2) receptor. Three of the compounds were also proven to function as agonists at the AT(2) receptor, as deduced from a neurite outgrowth assay, conducted in NG108-15 cells. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.05.066

文献信息

• Selective angiotensin II AT2 receptor agonists: Benzamide structure–activity relationships
  作者：Charlotta Wallinder、Milad Botros、Ulrika Rosenström、Marie-Odile Guimond、Hélène Beaudry、Fred Nyberg、Nicole Gallo-Payet、Anders Hallberg、Mathias Alterman

  DOI：10.1016/j.bmc.2008.05.066

  日期：2008.7

  In the investigation of the structure-activity relationship of nonpeptide AT(2) receptor agonists, a series of substituted benzamide analogues of the selective nonpeptide AT(2) receptor agonist M024 have been synthesised. In a second series, the biphenyl scaffold was compared to the thienylphenyl scaffold and the impact of the isobutyl substituent and its position on AT(1)/AT(2) receptor selectivity was also investigated. Both series included several compounds with high af. nity and selectivity for the AT(2) receptor. Three of the compounds were also proven to function as agonists at the AT(2) receptor, as deduced from a neurite outgrowth assay, conducted in NG108-15 cells. (c) 2008 Elsevier Ltd. All rights reserved.