| 808752-18-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 808752-18-3
• 化学式: C₂₁H₃₀N₂O₃S
• 分子量: 390.547
• InChiKey: ANPGLSPZQLYSSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.97
• 重原子数：
  27.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.64
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.37h， 以100%的产率得到2-benzyl-3-isobutyl-5-phenethyl-2,5-dihydro[1,2,5]thiadiazole-1,1-dioxide
  参考文献：
  名称：

  Serendipitous discovery of an unexpected rearrangement leads to two new classes of potential protease inhibitors

  摘要：

  The pathogenesis of a range of human diseases arises from the aberrant activity of proteolytic enzymes. Agents capable of selectively modulating the activity of these enzymes are of potential therapeutic value. Thus, there is a continuing need for the design of scaffolds that can be used in the development of new classes of protease inhibitors. We describe herein the serendipitous discovery of an unexpected rearrangement that leads to the formation of two novel templates that can be used in the design of protease inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.08.044
• 作为产物：
  描述：

  methyl 2-(benzyl(N-(tert-butoxycarbonyl)sulfamoyl)amino)-4-methylpentanoate 在 锂硼氢 、 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 33.0h， 生成
  参考文献：
  名称：

  Serendipitous discovery of an unexpected rearrangement leads to two new classes of potential protease inhibitors

  摘要：

  The pathogenesis of a range of human diseases arises from the aberrant activity of proteolytic enzymes. Agents capable of selectively modulating the activity of these enzymes are of potential therapeutic value. Thus, there is a continuing need for the design of scaffolds that can be used in the development of new classes of protease inhibitors. We describe herein the serendipitous discovery of an unexpected rearrangement that leads to the formation of two novel templates that can be used in the design of protease inhibitors. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.08.044