N-{2-[5-(4-methoxyphenyl)-2-methyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide | 950819-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-{2-[5-(4-methoxyphenyl)-2-methyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
• 英文别名: N-[2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethyl]-4-pentylbenzenesulfonamide
• CAS: 950819-76-8
• 化学式: C₂₄H₃₁N₃O₃S
• 分子量: 441.594
• InChiKey: OOAADWMCLODKTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  92.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[4-(4-methoxyphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine 、 4-N-戊(烷)基苯磺酰基氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 N-{2-[5-(4-methoxyphenyl)-2-methyl-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
  参考文献：
  名称：

  Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: Highly potent against human enzyme within a cellular environment

  摘要：

  A series of 2,4,5-tri-substituted imidazoles has proven to be highly potent in inhibiting mammalian 15-lipoxygenase (15LO) with excellent selectivity over human isozymes 5- and P-12-LO. Non-symmetrical sulfamides (e.g., 21a-n) were found to be suitable replacements for the earlier arylsulfonamide-containing members of this series (e.g., 2, 14a-p). Several members of these series also demonstrated potent inhibition of human 15-LO in a cell-based assay. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.011

文献信息

• Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: Highly potent against human enzyme within a cellular environment
  作者：David S. Weinstein、Wen Liu、Khehyong Ngu、Charles Langevine、Donald W. Combs、Shaobin Zhuang、Cindy Chen、Cort S. Madsen、Timothy W. Harper、Jeffrey A. Robl

  DOI：10.1016/j.bmcl.2007.07.011

  日期：2007.9

  A series of 2,4,5-tri-substituted imidazoles has proven to be highly potent in inhibiting mammalian 15-lipoxygenase (15LO) with excellent selectivity over human isozymes 5- and P-12-LO. Non-symmetrical sulfamides (e.g., 21a-n) were found to be suitable replacements for the earlier arylsulfonamide-containing members of this series (e.g., 2, 14a-p). Several members of these series also demonstrated potent inhibition of human 15-LO in a cell-based assay. (c) 2007 Elsevier Ltd. All rights reserved.