2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine | 1295570-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
• 英文别名: 2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
• CAS: 1295570-25-0
• 化学式: C₂₇H₂₄N₆O₂
• 分子量: 464.527
• InChiKey: RCFJDYWYYZQUTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  97.8
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(4-bromo-2-carbamoylphenyl)-6-methoxychromane-3-carboxamide 在 四(三苯基膦)钯 、 potassium carbonate 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.0h， 生成 2-(6-methoxychroman-3-yl)-6-(1H-pyrazol-4-yl)-N-(pyridin-2-ylmethyl)quinazolin-4-amine
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-quinazolinones as Rho kinase inhibitors

  摘要：

  Rho kinase ( ROCK) is an attractive therapeutic target for various diseases including glaucoma, hypertension, and spinal cord injury. Herein, we report the development of a series of ROCK-II inhibitors based on 4-quinazolinone and quinazoline scaffolds. SAR studies at three positions of the quinazoline core led to the identification of analogs with high potency against ROCK-II and good selectivity over protein kinase A (PKA). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.039

文献信息

• Synthesis and biological evaluation of 4-quinazolinones as Rho kinase inhibitors
  作者：Xingang Fang、Yen Ting Chen、E. Hampton Sessions、Sarwat Chowdhury、Tomas Vojkovsky、Yan Yin、Jennifer R. Pocas、Wayne Grant、Thomas Schröter、Li Lin、Claudia Ruiz、Michael D. Cameron、Philip LoGrasso、Thomas D. Bannister、Yangbo Feng

  DOI：10.1016/j.bmcl.2011.01.039

  日期：2011.3

  Rho kinase ( ROCK) is an attractive therapeutic target for various diseases including glaucoma, hypertension, and spinal cord injury. Herein, we report the development of a series of ROCK-II inhibitors based on 4-quinazolinone and quinazoline scaffolds. SAR studies at three positions of the quinazoline core led to the identification of analogs with high potency against ROCK-II and good selectivity over protein kinase A (PKA). (C) 2011 Elsevier Ltd. All rights reserved.