1-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-3-(3-methoxybenzyl)urea | 1219721-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-3-(3-methoxybenzyl)urea
• 英文别名: 1-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
• CAS: 1219721-63-7
• 化学式: C₂₂H₂₇N₅O₃
• 分子量: 409.488
• InChiKey: QNGZFGYYWYJEPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  91.5
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-吡唑硼酸频哪醇酯 、 1-(4-bromo-2-(2-(dimethylamino)ethoxy)phenyl)-3-(3-methoxybenzyl)urea 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 1-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-3-(3-methoxybenzyl)urea
  参考文献：
  名称：

  Discovery of Potent and Selective Urea-Based ROCK Inhibitors and Their Effects on Intraocular Pressure in Rats

  摘要：

  A series of urea-based Rho kinase (ROCK) inhibitors were designed and evaluated. The discovered compounds had excellent enzyme and cellular potency, high kinase selectivity, high aqueous solubility, good porcine corneal penetration, and appropriate DMPK profiles for topical applications as antiglaucoma therapeutics.

  DOI：

  10.1021/ml1000382

文献信息

• [EN] UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS D'URÉE ET DE CARBAMATE ET ANALOGUES UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：FENG YANGBO

  公开号：WO2010036316A1

  公开（公告）日：2010-04-01

  The invention is directed to compounds that can inhibit the bioactivity of one or more kinases such as any of Rho kinases, PKB (Akt) kinases, p70S6K kinase, LIM kinases, or IKK kinases, to methods of use of those compounds, and to methods of preparation of those compounds The inventive compounds can be used In the treatment of a variety of medical malconditions.

  该发明涉及可以抑制一个或多个激酶的生物活性的化合物，如Rho激酶、PKB（Akt）激酶、p70S6K激酶、LIM激酶或IKK激酶中的任何一个，以及这些化合物的使用方法和制备方法。这些创新的化合物可用于治疗各种医疗疾病。
• Discovery of Potent and Selective Urea-Based ROCK Inhibitors and Their Effects on Intraocular Pressure in Rats
  作者：Yan Yin、Michael D. Cameron、Li Lin、Susan Khan、Thomas Schröter、Wayne Grant、Jennifer Pocas、Yen Ting Chen、Stephan Schürer、Alok Pachori、Philip LoGrasso、Yangbo Feng

  DOI：10.1021/ml1000382

  日期：2010.7.8

  A series of urea-based Rho kinase (ROCK) inhibitors were designed and evaluated. The discovered compounds had excellent enzyme and cellular potency, high kinase selectivity, high aqueous solubility, good porcine corneal penetration, and appropriate DMPK profiles for topical applications as antiglaucoma therapeutics.