5-cyclopentyloxy-2,4-diaminoquinazoline | 1370251-94-7

• 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: 5-cyclopentyloxy-2,4-diaminoquinazoline
• 英文别名: 5-Cyclopentyloxyquinazoline-2,4-diamine
• CAS: 1370251-94-7
• 化学式: C₁₃H₁₆N₄O
• 分子量: 244.296
• InChiKey: SIISAWADYJVTHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  87
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  环戊醇 、 2,6-二氟苯腈 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 、 mineral oil 为溶剂， 反应 14.0h， 生成 5-cyclopentyloxy-2,4-diaminoquinazoline
  参考文献：
  名称：

  Discovery and Optimization of 2,4-Diaminoquinazoline Derivatives as a New Class of Potent Dengue Virus Inhibitors

  摘要：

  The results of a high-throughput screening assay using the DENV-2 replicon showed that the 2,4-diaminoquinazoline derivative 4a has a high dengue virus inhibitory activity (EC50 = 0.15 mu M). A series of 2,4-diaminoquinazoline derivatives based on 4a as a lead compound were synthesized and subjected to structure-antidengue activity relationship studies. Among the series of 2,4-diaminoquinazoline derivative probed, 4o was observed to display both the highest antiviral potency (EC50 = 2.8 nM, SI > 1000) and an excellent pharmacokinetic profile.

  DOI：

  10.1021/jm2015952

文献信息

• USE OF A QUINAZOLINE COMPOUND IN PREPARING A MEDICAMENT AGAINST FLAVIVIRIDAE VIRUS
  申请人：Zuo Jianping

  公开号：US20130261139A1

  公开（公告）日：2013-10-03

  Disclosed is a use of a quinazoline compound of Formula I having 2,4-diaminoquinazoline as a parent nucleus in preparation of a medicament for treating diseases caused by flaviviridae infection, especially a use in combating Hepatitis C virus infection and Dengue fever virus infection.

  本发明揭示了一种使用式I的喹唑啉化合物，其中2,4-二氨基喹唑啉作为母核，用于制备治疗由黄病毒科感染引起的疾病的药物，特别是用于对抗丙型肝炎病毒感染和登革热病毒感染的用途。
• USE OF QUINAZOLINE COMPOUND IN PREPARATION OF ANTI-FLAVIVIRUS DRUG
  申请人：Shanghai Institute Materia Medica, Chinese Academy Of Sciences

  公开号：EP2649999A1

  公开（公告）日：2013-10-16

  Disclosed is a use of a quinazoline compound of Formula I having 2,4-diaminoquinazoline as a parent nucleus in preparation of a medicament for treating diseases caused by flaviviridae infection, especially a use in combating Hepatitis C virus infection and Dengue fever virus infection.

  本发明公开了以 2,4-二氨基喹唑啉为母核的式 I 喹唑啉化合物在制备治疗由黄病毒感染引起的疾病的药物中的用途，特别是在防治丙型肝炎病毒感染和登革热病毒感染中的用途。
• US9133138B2
  申请人：——

  公开号：US9133138B2

  公开（公告）日：2015-09-15