benzyl (S)-(4-methyl-3,5-dioxo-1,4-oxazepan-6-yl)carbamate | 1042070-01-8

• 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: benzyl (S)-(4-methyl-3,5-dioxo-1,4-oxazepan-6-yl)carbamate
• CAS: 1042070-01-8
• 化学式: C₁₄H₁₆N₂O₅
• 分子量: 292.291
• InChiKey: XELAQBUYOHAECN-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  84.94
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  methyl N-((benzyloxy)carbonyl)-O-(2-ethoxy-2-oxoethyl)-L-serinate 、 甲胺 以 甲醇 为溶剂， 以100%的产率得到benzyl (S)-(4-methyl-3,5-dioxo-1,4-oxazepan-6-yl)carbamate
  参考文献：
  名称：

  Design and synthesis of 6-amino-1,4-oxazepane-3,5-dione derivatives as novel broad spectrum anticonvulsants

  摘要：

  Based on the structural estimations of the typical anticonvulsant drugs, a series of 6-amino-1,4-oxazepane-3,5-dione derivatives, novel structures of 7-membered heterocyclic imides, which were hybridized with pharmacophores such as cyclic imide and N-CO-C-N group in their molecule were designed and synthesized. Their anticonvulsant activities were evaluated by the maximal electroshock induced seizure (MES) and subcutaneous pentylenetetrazole (PTZ) tests. Almost all the designed compounds except 1c and 1f showed comparable anticonvulsant activities in at least one of the anticonvulsant tests. Moreover, some of the tested compounds exhibited moderate anticonvulsant activities in both MES and PTZ tests. From these results, 6-amino-1,4-oxazepane3,5-dione derivatives could be recommended as novel structures of broad spectrum anticonvulsants. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.067