N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide | 1072906-03-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
• 英文别名: N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide；N-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
• CAS: 1072906-03-6
• 化学式: C₁₉H₁₇N₃O₄
• 分子量: 351.362
• InChiKey: VGRBFVDNFGSMNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  85.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-吡唑硼酸频哪醇酯 、 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 N-(2-methoxy-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
  参考文献：
  名称：

  Discovery of Substituted 4-(Pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as Potent and Highly Selective Rho Kinase (ROCK-II) Inhibitors

  摘要：

  The identification of a new class of potent and selective ROCK-II inhibitors is presented. Compound 5 (SR-3677) had an IC50 of similar to 3 nM in enzyme and cell based assays and had an off-tar-et hit rate of 1.4% against 353 kinases. and inhibited only 3 out of 70 nonkinase enzymes and receptors. Pharmacology studies showed that 5 was efficacious in both, increasing ex vivo aqueous humor outflow in porcine eves and inhibiting myosin light chain phosphorylation.

  DOI：

  10.1021/jm800986w

文献信息

• BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS
  申请人：Feng Yangbo

  公开号：US20110150833A1

  公开（公告）日：2011-06-23

  Compounds useful as Rho kinase inhibitors of formula (1) wherein the variables are as defined herein are provided. Methods of treatment of malconditions mediated by Rho kinase, and methods of preparation of the compounds, are also provided.

  提供了一些公式（1）中变量的Rho激酶抑制剂，这些化合物可用于治疗由Rho激酶介导的疾病。还提供了制备这些化合物的方法和治疗Rho激酶介导的疾病的方法。
• [EN] BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS<br/>[FR] BENZOPYRANES ET ANALOGUES UTILISÉS COMME INHIBITEURS DE LA RHO KINASE
  申请人：FENG YANGBO

  公开号：WO2009079008A1

  公开（公告）日：2009-06-25

  Compounds useful as Rho kinase inhibitors of formula (I) wherein the variables are as defined herein are provided. Methods of treatment of malconditions mediated by Rho kinase, and methods of preparation of the compounds, are also provided.
• Discovery of Substituted 4-(Pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as Potent and Highly Selective Rho Kinase (ROCK-II) Inhibitors
  作者：Yangbo Feng、Yan Yin、Amiee Weiser、Evelyn Griffin、Michael D. Cameron、Li Lin、Claudia Ruiz、Stephan C. Schürer、Toshihiro Inoue、P. Vasanth Rao、Thomas Schröter、Philip LoGrasso

  DOI：10.1021/jm800986w

  日期：2008.11.13

  The identification of a new class of potent and selective ROCK-II inhibitors is presented. Compound 5 (SR-3677) had an IC50 of similar to 3 nM in enzyme and cell based assays and had an off-tar-et hit rate of 1.4% against 353 kinases. and inhibited only 3 out of 70 nonkinase enzymes and receptors. Pharmacology studies showed that 5 was efficacious in both, increasing ex vivo aqueous humor outflow in porcine eves and inhibiting myosin light chain phosphorylation.