3-amino-1,5-dibenzylimidazolidin-4-one | 1246437-60-4

• 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: 3-amino-1,5-dibenzylimidazolidin-4-one
• CAS: 1246437-60-4
• 化学式: C₁₇H₁₉N₃O
• 分子量: 281.357
• InChiKey: QUVZHBGTQVLLGO-UHFFFAOYSA-N

物化性质

• 沸点：
  432.4±55.0 °C(predicted)
• 密度：
  1.215±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-amino-1,5-dibenzylimidazolidin-4-one 、 Cbz-DL-苯丙氨酸 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， 生成 benzyl 1-(3-benzyl-4-isobutyl-5-oxoimidazolidin-1-ylamino)-1-oxo-3-phenyl-propan-2-ylcarbamate
  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
• 作为产物：
  描述：

  tert-butyl 3,4-dibenzyl-5-oxoimidazolidin-1-ylcarbamate 在 silica gel 作用下， 以 二氯甲烷 为溶剂， 以30%的产率得到3-amino-1,5-dibenzylimidazolidin-4-one
  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.