2-(4-甲基苯基)乙基脲 | 25017-30-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-(4-甲基苯基)乙基脲
• 英文名称: Urea, (p-methylphenethyl)-
• 英文别名: 2-(4-methylphenyl)ethylurea
• CAS: 25017-30-5
• 化学式: C₁₀H₁₄N₂O
• 分子量: 178.234
• InChiKey: KCKRVHRGEAMWHP-UHFFFAOYSA-N

物化性质

• 熔点：
  145 °C(Solv: benzene (71-43-2))
• 沸点：
  316.4±35.0 °C(Predicted)
• 密度：
  1.082±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(4-甲基苯基)乙基脲 在 盐酸 、 氢氧化钾 、 溶剂黄146 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 15.5h， 生成 3-Carboxymethyl-1-(2-(4-methylphenyl)ethyl)parabanic acid
  参考文献：
  名称：

  Highly Selective Aldose Reductase Inhibitors. 1. 3-(Arylalkyl)-2,4,5-trioxoimidazolidine-1-acetic Acids

  摘要：

  A series of 3-(arylalkyl)-2,4,5-trioxoimidazolidine-1-acids (1) was prepared and tested for aldose reductase (AR) and aldehyde reductase (ALR) inhibitory activities. These compounds showed strong inhibitory activity against AR without significant inhibitory activity for ALR. The ratio of IC50(ALR)/IC50(AR) was > 1000 in some compouds. On the basis of pharmacological tests such as the recovery of reduced motor nerve conduction velocity and toxicological profile, 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acid (NZ-314) was selected as the candidate for clinical development.

  DOI：

  10.1021/jm9508393
• 作为产物：
  描述：

  2-(对甲苯)乙胺盐酸盐 、 尿素 在 盐酸 作用下， 以 水 为溶剂， 反应 3.0h， 生成 2-(4-甲基苯基)乙基脲
  参考文献：
  名称：

  Highly Selective Aldose Reductase Inhibitors. 1. 3-(Arylalkyl)-2,4,5-trioxoimidazolidine-1-acetic Acids

  摘要：

  A series of 3-(arylalkyl)-2,4,5-trioxoimidazolidine-1-acids (1) was prepared and tested for aldose reductase (AR) and aldehyde reductase (ALR) inhibitory activities. These compounds showed strong inhibitory activity against AR without significant inhibitory activity for ALR. The ratio of IC50(ALR)/IC50(AR) was > 1000 in some compouds. On the basis of pharmacological tests such as the recovery of reduced motor nerve conduction velocity and toxicological profile, 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acid (NZ-314) was selected as the candidate for clinical development.

  DOI：

  10.1021/jm9508393

文献信息

• METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS
  申请人：Moran Magdalene M.

  公开号：US20120046305A1

  公开（公告）日：2012-02-23

  Compounds and compositions for treating disorders related to TRPA1 are described herein.

  本文描述了用于治疗与TRPA1相关疾病的化合物和组合物。
• METHODS AND COMPOSITIONS FOR TREATING DISORDERS
  申请人：Ng Howard

  公开号：US20090143377A1

  公开（公告）日：2009-06-04

  Compounds and compositions for treating disorders related to TRPA1 are described herein.

  本文描述了用于治疗与TRPA1相关的疾病的化合物和组合物。
• Compounds and compositions for treating chemical warfare agent-induced injuries
  申请人：Eli Lilly and Company

  公开号：US10703754B2

  公开（公告）日：2020-07-07

  Compounds and compositions for treating injuries caused by exposure to chemical warfare agents are described herein.

  本文描述了用于治疗因接触化学战剂而造成的伤害的化合物和组合物。
• COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES
  申请人：Hydra Biosciences, Inc.

  公开号：US20180265511A1

  公开（公告）日：2018-09-20

  Compounds and compositions for treating injuries caused by exposure to chemical warfare agents are described herein.
• Highly Selective Aldose Reductase Inhibitors. 1. 3-(Arylalkyl)-2,4,5-trioxoimidazolidine-1-acetic Acids
  作者：Akira Ishii、Takayuki Kotani、Yasuhiro Nagaki、Yoji Shibayama、Yoshio Toyomaki、Nobuhisa Okukado、Kazuharu Ienaga、Kaoru Okamoto

  DOI：10.1021/jm9508393

  日期：1996.1.1

  A series of 3-(arylalkyl)-2,4,5-trioxoimidazolidine-1-acids (1) was prepared and tested for aldose reductase (AR) and aldehyde reductase (ALR) inhibitory activities. These compounds showed strong inhibitory activity against AR without significant inhibitory activity for ALR. The ratio of IC50(ALR)/IC50(AR) was > 1000 in some compouds. On the basis of pharmacological tests such as the recovery of reduced motor nerve conduction velocity and toxicological profile, 3-(3-nitrobenzyl)-2,4,5-trioxoimidazolidine-1-acid (NZ-314) was selected as the candidate for clinical development.