2-(benzyl(N-(3-phenoxybenzyl)sulfamoyl)amino)-N-(2-morpholinoethyl)acetamide hydrochloride | 1370229-06-3

• 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: 2-(benzyl(N-(3-phenoxybenzyl)sulfamoyl)amino)-N-(2-morpholinoethyl)acetamide hydrochloride
• 英文别名: 2-[benzyl-[(3-phenoxyphenyl)methylsulfamoyl]amino]-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
• CAS: 1370229-06-3
• 化学式: C₂₈H₃₄N₄O₅S*ClH
• 分子量: 575.129
• InChiKey: YFPAGQKCKFZPEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  39
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  3-苯氧基苄醇 在 盐酸 、 偶氮二甲酸二异丙酯 、 水 、 sodium hydride 、 三苯基膦 、 N,N'-羰基二咪唑 、 三氟乙酸 、 lithium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 2.0h， 生成 2-(benzyl(N-(3-phenoxybenzyl)sulfamoyl)amino)-N-(2-morpholinoethyl)acetamide hydrochloride
  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

文献信息

• Potent norovirus inhibitors based on the acyclic sulfamide scaffold
  作者：Dengfeng Dou、Kok-Chuan Tiew、Sivakoteswara Rao Mandadapu、Mallikarjuna Reddy Gunnam、Kevin R. Alliston、Yunjeong Kim、Kyeong-Ok Chang、William C. Groutas

  DOI：10.1016/j.bmc.2012.01.030

  日期：2012.3

  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.