[5-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)-4-phenylthiazol-2-yl]-carbamic acid ethyl ester | 952612-51-0

• 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: [5-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)-4-phenylthiazol-2-yl]-carbamic acid ethyl ester
• 英文别名: ethyl N-[5-(4-oxo-3-phenylquinazolin-2-yl)-4-phenyl-1,3-thiazol-2-yl]carbamate
• CAS: 952612-51-0
• 化学式: C₂₆H₂₀N₄O₃S
• 分子量: 468.536
• InChiKey: WHFYSZHRYWYKJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 2-chloromethyl-3-phenyl-3H-quinazolin-4-one 以 乙腈 为溶剂， 以79%的产率得到[5-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)-4-phenylthiazol-2-yl]-carbamic acid ethyl ester
  参考文献：
  名称：

  Synthesis and evaluation of quinazolinone derivatives as inhibitors of NF-κB, AP-1 mediated transcription and eIF-4E mediated translational activation: Inhibitors of multi-pathways involve in cancer

  摘要：

  In our effort to discover and develop small molecule multi-pathway inhibitors which may be useful as tools for treating cancerous conditions, we have synthesized a small library of 2-thiazole-5-yl-3H-quinazolin-4-one derivatives. Synthesized compounds were evaluated as inhibitors of NF-kappa B and AP-1 mediated transcriptional and eIF-4E mediated translational activation as these transcription and translation factors are known to play a pivotal role in initiation and progression of cancer. The results from the study suggest the utility of the 2-thiazole-5-yl-3H-quinazolin-4-one scaffold as a promising scaffold for the design of novel multi-pathway inhibitors, which can be explored as anti-cancer agents. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.04.038

文献信息

• THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS
  申请人：Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College

  公开号：EP2007393B1

  公开（公告）日：2013-08-21
• Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers
  申请人：Giordano Anthony

  公开号：US20090306073A1

  公开（公告）日：2009-12-10

  Thiazole and thiophene compounds are disclosed having utility in treating inflammatory conditions, immunoinflammatory conditions, autoimmune diseases, and cancers. Methods for the synthesis of these compounds are also disclosed.
• US8217037B2
  申请人：——

  公开号：US8217037B2

  公开（公告）日：2012-07-10
• US8829014B2
  申请人：——

  公开号：US8829014B2

  公开（公告）日：2014-09-09