(S)-1-(2-(2-(3-(3-methoxyphenethyl)-2-oxoimidazolidin-1-yl)ethylamino)-acetyl)pyrrolidine-2-carbonitrile oxalate | 1207841-14-2

• 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: (S)-1-(2-(2-(3-(3-methoxyphenethyl)-2-oxoimidazolidin-1-yl)ethylamino)-acetyl)pyrrolidine-2-carbonitrile oxalate
• 英文别名: (2S)-1-[2-[2-[3-[2-(3-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]ethylamino]acetyl]pyrrolidine-2-carbonitrile;oxalic acid
• CAS: 1207841-14-2
• 化学式: C₂H₂O₄*C₂₁H₂₉N₅O₃
• 分子量: 489.528
• InChiKey: HBVFSGSMMJBYDJ-FERBBOLQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (S)-1-(2-(2-(3-(3-methoxyphenethyl)-2-oxoimidazolidin-1-yl)ethylamino)-acetyl)pyrrolidine-2-carbonitrile 、 草酸 以 异丙醇 为溶剂， 生成 (S)-1-(2-(2-(3-(3-methoxyphenethyl)-2-oxoimidazolidin-1-yl)ethylamino)-acetyl)pyrrolidine-2-carbonitrile oxalate
  参考文献：
  名称：

  Synthesis and Evaluation of Novel Compounds as Potent Dipeptidyl Peptidase IV Inhibitors

  摘要：

  A series of new 2-cyanopyrrolidine derivatives with constrained imidazolidin ring were synthesized. Their structures were confirmed by 1H NMR spectroscopy and/or mass spectrometry, and their activities were evaluated in vitro. They were proven to possess submicromolar inhibitory activities against dipeptidyl peptidase IV.

  DOI：

  10.1080/00397910902919522

文献信息

• Synthesis and Evaluation of Novel Compounds as Potent Dipeptidyl Peptidase IV Inhibitors
  作者：Liutang Wang、Bin Zhang、Jianxin Ji、Bogang Li、Jufang Yan、Weiyu Zhang、Yong Wu、Xuechao Wang、Hui Hou

  DOI：10.1080/00397910902919522

  日期：2009.12.15

  A series of new 2-cyanopyrrolidine derivatives with constrained imidazolidin ring were synthesized. Their structures were confirmed by 1H NMR spectroscopy and/or mass spectrometry, and their activities were evaluated in vitro. They were proven to possess submicromolar inhibitory activities against dipeptidyl peptidase IV.