N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide | 1415586-34-3

• 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: N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
• CAS: 1415586-34-3
• 化学式: C₁₆H₁₉NO₅S₂
• 分子量: 369.463
• InChiKey: PWXNQPLKTXXTFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide 在 吡啶硼烷 、 羟胺 、 四丁基碘化铵 、 sodium hydride 、 碳酸氢钠 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of procollagen C-proteinase inhibitors

  摘要：

  Non-peptidic inhibitors of procollagen C-proteinase (PCP) were designed from substrate leads. Compounds were optimized for potency and selectivity, with N-substituted aryl sulfonamide hydroxamates having the best combination of these properties. Compounds 89 and 60 have IC50 values of 10 and 80 nM, respectively, against PCP; excellent selectivity over MMP's 1, 2, and 9; and activity in cell-based collagen deposition assays. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.067
• 作为产物：
  描述：

  4-甲基磺酰苯磺酰氯 、 2-(4-甲氧苯基)乙胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以93%的产率得到N-[2-(4-methoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
  参考文献：
  名称：

  Design and synthesis of procollagen C-proteinase inhibitors

  摘要：

  Non-peptidic inhibitors of procollagen C-proteinase (PCP) were designed from substrate leads. Compounds were optimized for potency and selectivity, with N-substituted aryl sulfonamide hydroxamates having the best combination of these properties. Compounds 89 and 60 have IC50 values of 10 and 80 nM, respectively, against PCP; excellent selectivity over MMP's 1, 2, and 9; and activity in cell-based collagen deposition assays. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.067

文献信息

• Design and synthesis of procollagen C-proteinase inhibitors
  作者：Eric Turtle、Nicholas Chow、Charles Yang、Sergio Sosa、Udo Bauer、Mitch Brenner、David Solow-Cordero、Wen-Bin Ho

  DOI：10.1016/j.bmcl.2012.10.067

  日期：2012.12

  Non-peptidic inhibitors of procollagen C-proteinase (PCP) were designed from substrate leads. Compounds were optimized for potency and selectivity, with N-substituted aryl sulfonamide hydroxamates having the best combination of these properties. Compounds 89 and 60 have IC50 values of 10 and 80 nM, respectively, against PCP; excellent selectivity over MMP's 1, 2, and 9; and activity in cell-based collagen deposition assays. (C) 2012 Elsevier Ltd. All rights reserved.