tert-butyl 4'-[(1H-1,2,4-triazol-1-yl)methyl]-5-methylbiphenyl-2-ylsulfonylcarbamate

• 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: tert-butyl 4'-[(1H-1,2,4-triazol-1-yl)methyl]-5-methylbiphenyl-2-ylsulfonylcarbamate
• 英文别名: tert-butyl N-[4-methyl-2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]sulfonylcarbamate
• 化学式: C₂₁H₂₄N₄O₄S
• 分子量: 428.512
• InChiKey: XSFYSQDVQCBDGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(4-bromobenzyl)-1H-1,2,4-triazole 在 吡啶 、 palladium diacetate 、 三苯基膦 、 三氟乙酸 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 21.0h， 生成 tert-butyl 4'-[(1H-1,2,4-triazol-1-yl)methyl]-5-methylbiphenyl-2-ylsulfonylcarbamate
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives as potential antihypertensive candidates

  摘要：

  A series of novel 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives were designed and synthesized to develop new angiotensin II subtype 2 (AT(2)) receptor agonists as novel antihypertensive candidates. It was found that 14f (IC50 = 0.4 nM) and 15e (IC50 = 5.0 nM) displayed potent AT(2) receptor affinity and selectivity in binding assays. Biological evaluation in vivo suggested that 14f is obviously superior to that of reference drug losartan in RHRs, and meanwhile, 14f has no significant impact on heart rate. The interesting activities of these compounds may make them promising candidates as antihypertensive agents. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.10.017

文献信息

• Design, synthesis, and biological evaluation of 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives as potential antihypertensive candidates
  作者：Jie Liu、Qin Liu、Xue Yang、Shengtao Xu、Hengyuan Zhang、Renren Bai、Hequan Yao、Jieyun Jiang、Mingqin Shen、Xiaoming Wu、Jinyi Xu

  DOI：10.1016/j.bmc.2013.10.017

  日期：2013.12

  A series of novel 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives were designed and synthesized to develop new angiotensin II subtype 2 (AT(2)) receptor agonists as novel antihypertensive candidates. It was found that 14f (IC50 = 0.4 nM) and 15e (IC50 = 5.0 nM) displayed potent AT(2) receptor affinity and selectivity in binding assays. Biological evaluation in vivo suggested that 14f is obviously superior to that of reference drug losartan in RHRs, and meanwhile, 14f has no significant impact on heart rate. The interesting activities of these compounds may make them promising candidates as antihypertensive agents. (C) 2013 Elsevier Ltd. All rights reserved.