2-(pyridin-2-yl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one | 1040736-03-5

• 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-(pyridin-2-yl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
• 英文别名: 4-(4-fluorophenyl)-2-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinazolin-5-one
• CAS: 1040736-03-5
• 化学式: C₁₉H₁₆FN₃O
• 分子量: 321.354
• InChiKey: SEGLAKCRGYZWAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-脒基吡啶盐酸盐 、 对氟苯甲醛 、 1,3-环己二酮 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成 2-(pyridin-2-yl)-4-(4-fluorophenyl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
  参考文献：
  名称：

  2,4-Diaryl-4,6,7,8-tetrahydroquinazolin-5(1H)-one derivatives as anti-HBV agents targeting at capsid assembly

  摘要：

  A series of novel 2,4-diaryl-4,6,7,8-tetrahydroquinazolin-5(1H)-one derivatives were designed and synthesized as potent inhibitors of HBV capsid assembly. These compounds arose from efforts to rigidify an earlier series of heteroaryldihydropyrimidines (HAPs), and compounds 12, 13, 20, 24, 30 and 32 showed potent inhibition of HBV capsid assembly, especially 24 with IC50 value at sub-micromolar range. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.119

文献信息

• TETRAHYDROQUINAZOLINE COMPOUNDS AND THEIR USE IN PREPARING MEDICAMENTS FOR TREATING AND PREVENTING VIROSIS
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2119708B1

  公开（公告）日：2013-08-14
• US8188091B2
  申请人：——

  公开号：US8188091B2

  公开（公告）日：2012-05-29
• 2,4-Diaryl-4,6,7,8-tetrahydroquinazolin-5(1H)-one derivatives as anti-HBV agents targeting at capsid assembly
  作者：Xuejun Zhu、Guoming Zhao、Xiaoping Zhou、Xiaoqian Xu、Guangqiang Xia、Zhibing Zheng、Lili Wang、Xiaohong Yang、Song Li

  DOI：10.1016/j.bmcl.2009.10.119

  日期：2010.1

  A series of novel 2,4-diaryl-4,6,7,8-tetrahydroquinazolin-5(1H)-one derivatives were designed and synthesized as potent inhibitors of HBV capsid assembly. These compounds arose from efforts to rigidify an earlier series of heteroaryldihydropyrimidines (HAPs), and compounds 12, 13, 20, 24, 30 and 32 showed potent inhibition of HBV capsid assembly, especially 24 with IC50 value at sub-micromolar range. (c) 2009 Elsevier Ltd. All rights reserved.