4-(2-Chloro-4-fluorophenyl)-7,7-dimethyl-2-(1,3-thiazol-2-yl)-1,4,6,8-tetrahydroquinazolin-5-one | 1040736-06-8

• 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: 4-(2-Chloro-4-fluorophenyl)-7,7-dimethyl-2-(1,3-thiazol-2-yl)-1,4,6,8-tetrahydroquinazolin-5-one
• CAS: 1040736-06-8
• 化学式: C₁₉H₁₇ClFN₃OS
• 分子量: 389.881
• InChiKey: JPLSCQYANLZJCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  82.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-噻唑甲脒盐酸盐 、 2-氯-4-氟苯甲醛 、 5,5-二甲基-1,3-环己二酮 在 sodium acetate 作用下， 以 乙醇 为溶剂， 反应 20.0h， 生成 4-(2-Chloro-4-fluorophenyl)-7,7-dimethyl-2-(1,3-thiazol-2-yl)-1,4,6,8-tetrahydroquinazolin-5-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：Li Song

  公开号：US20100075988A1

  公开（公告）日：2010-03-25

  The present invention relates to a compound of formula (I) or isomers thereof, or pharmaceutically acceptable salts or hydrates thereof. The present invention further relates to processes for the preparation of the compounds of formula (I) and optical isomers, and to the use of the compounds of formula (I), or isomers thereof, or pharmaceutically acceptable salts or hydrates thereof as medicaments, in particular as medicaments for the treatment and prevention of Hepatitis B.

  本发明涉及化合物式(I)或其异构体，或其药学上可接受的盐或水合物。本发明还涉及制备化合物式(I)及其光学异构体的方法，以及将化合物式(I)或其异构体，或其药学上可接受的盐或水合物用作药物的用途，特别是用作治疗和预防乙型肝炎的药物。
• 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.