N-[3,4-dibenzyl-5-oxoimidazolidin-1-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide | 1246437-66-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[3,4-dibenzyl-5-oxoimidazolidin-1-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
• 英文别名: N-(3,4-dibenzyl-5-oxoimidazolidin-1-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
• CAS: 1246437-66-0
• 化学式: C₂₇H₂₈N₄O₄
• 分子量: 472.544
• InChiKey: NTVHPDXYXPIQDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  86.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(furan-2-ylmethyl)-5-oxo-oxopyrrolidine-3-carboxylic acid 、 3-amino-1,5-dibenzylimidazolidin-4-one 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 以40%的产率得到N-[3,4-dibenzyl-5-oxoimidazolidin-1-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
  参考文献：
  名称：

  Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold

  摘要：

  A series of compounds based on the N-amino-4-imidazolidinone scaffold was synthesized and screened against human neutrophil elastase (HNE). These studies lead to the identification of a selective, low micromolar reversible competitive inhibitor of HNE. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.028

文献信息

• Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold
  作者：Guijia He、Dengfeng Dou、Liuqing Wei、Kevin R. Alliston、William C. Groutas

  DOI：10.1016/j.ejmech.2010.06.028

  日期：2010.9

  A series of compounds based on the N-amino-4-imidazolidinone scaffold was synthesized and screened against human neutrophil elastase (HNE). These studies lead to the identification of a selective, low micromolar reversible competitive inhibitor of HNE. (C) 2010 Elsevier Masson SAS. All rights reserved.