2-((N-(3-phenoxybenzyl)sulfamoyl)amino)acetic acid | 1370228-86-6

• 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: 2-((N-(3-phenoxybenzyl)sulfamoyl)amino)acetic acid
• CAS: 1370228-86-6
• 化学式: C₁₅H₁₆N₂O₅S
• 分子量: 336.368
• InChiKey: ZRLMQEUFBGAQNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.49
• 重原子数：
  23.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  104.73
• 氢给体数：
  3.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-呋喃甲胺 、 2-((N-(3-phenoxybenzyl)sulfamoyl)amino)acetic acid 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 以55%的产率得到N-(furan-2-ylmethyl)-2-((N-(3-phenoxybenzyl)sulfamoyl)amino)acetamide
  参考文献：
  名称：

  Potent norovirus inhibitors based on the acyclic sulfamide scaffold

  摘要：

  The development of small molecule therapeutics to combat norovirus infection is of considerable interest from a public health perspective because of the highly contagious nature of noroviruses. A series of amino acid-derived acyclic sulfamide-based norovirus inhibitors has been synthesized and evaluated using a cell-based replicon system. Several compounds were found to display potent anti-norovirus activity, low toxicity, and good aqueous solubility. These compounds are suitable for further optimization of pharmacological and ADMET properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.01.030
• 作为产物：
  描述：

  methyl 2-((N-(tert-butoxycarbonyl)-N-(3-phenoxybenzyl)sulfamoyl)amino)acetate 在 三氟乙酸 、 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 生成 2-((N-(3-phenoxybenzyl)sulfamoyl)amino)acetic acid
  参考文献：
  名称：

  Potent norovirus inhibitors based on the acyclic sulfamide scaffold

  摘要：

  The development of small molecule therapeutics to combat norovirus infection is of considerable interest from a public health perspective because of the highly contagious nature of noroviruses. A series of amino acid-derived acyclic sulfamide-based norovirus inhibitors has been synthesized and evaluated using a cell-based replicon system. Several compounds were found to display potent anti-norovirus activity, low toxicity, and good aqueous solubility. These compounds are suitable for further optimization of pharmacological and ADMET properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.01.030