1,1-Bis(2-hydroxyethyl)-3-(p-tolyl)urea | 727988-22-9

• 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: 1,1-Bis(2-hydroxyethyl)-3-(p-tolyl)urea
• 英文别名: 1,1-bis(2-hydroxyethyl)-3-(4-methylphenyl)urea
• CAS: 727988-22-9
• 化学式: C₁₂H₁₈N₂O₃
• mdl: MFCD13293095
• 分子量: 238.287
• InChiKey: OSPVEBMITPLPBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  72.8
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-Bis(2-hydroxyethyl)-3-(p-tolyl)urea 在 三溴化磷 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors

  摘要：

  To find potent and selective inhibitors of dipeptidyl peptidase IV (DPP-IV), we synthesized a series of 2-cyanopyrrolidine derivatives with constrained imidazolidin ring and tested their activities against DPP-IV. Most of them exhibited submicromolar inhibitory activities against DPP-IV. The most potent compound among these is (S)-1-(2-(2-(3-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl)ethyl-amino)acetyl)pyrrolidine-2-carbonitrile (6n), which is a 2 nM DPP-IV inhibitor. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.03.021
• 作为产物：
  描述：

  对甲苯异氰酸酯 、 二乙醇胺 以 二氯甲烷 、 甲苯 为溶剂， 生成 1,1-Bis(2-hydroxyethyl)-3-(p-tolyl)urea
  参考文献：
  名称：

  Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors

  摘要：

  To find potent and selective inhibitors of dipeptidyl peptidase IV (DPP-IV), we synthesized a series of 2-cyanopyrrolidine derivatives with constrained imidazolidin ring and tested their activities against DPP-IV. Most of them exhibited submicromolar inhibitory activities against DPP-IV. The most potent compound among these is (S)-1-(2-(2-(3-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl)ethyl-amino)acetyl)pyrrolidine-2-carbonitrile (6n), which is a 2 nM DPP-IV inhibitor. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.03.021

文献信息

• US4587347A
  申请人：——

  公开号：US4587347A

  公开（公告）日：1986-05-06
• Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors
  作者：Liutang Wang、Bin Zhang、Jianxin Ji、Bogang Li、Jufang Yan、Weiyu Zhang、Yong Wu、Xuechao Wang

  DOI：10.1016/j.ejmech.2009.03.021

  日期：2009.8

  To find potent and selective inhibitors of dipeptidyl peptidase IV (DPP-IV), we synthesized a series of 2-cyanopyrrolidine derivatives with constrained imidazolidin ring and tested their activities against DPP-IV. Most of them exhibited submicromolar inhibitory activities against DPP-IV. The most potent compound among these is (S)-1-(2-(2-(3-(3,4-dimethoxyphenyl)-2-oxoimidazolidin-1-yl)ethyl-amino)acetyl)pyrrolidine-2-carbonitrile (6n), which is a 2 nM DPP-IV inhibitor. (C) 2009 Elsevier Masson SAS. All rights reserved.