2-(4-chlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline | 1429045-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-chlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
• CAS: 1429045-91-9
• 化学式: C₂₈H₁₉ClN₆S
• 分子量: 507.018
• InChiKey: XBSMIIQHNABJRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(4-chlorophenyl)-4(3H)-quinazolinone 在 劳森试剂 、 盐酸 、 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 30.0h， 生成 2-(4-chlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinazoline
  参考文献：
  名称：

  Synthesis and evaluation of quinazoline derivatives as phosphodiesterase 7 inhibitors

  摘要：

  The latest scientific findings concerning PDE7 and PDE4 inhibition suggest that selective small-molecule inhibitors of both enzymes could provide a novel approach to treat a variety of immunological diseases. In this context, we describe a new series of quinazoline derivatives from quinazolin-4-thiones which include a substituted biphenyl fragment. Some of these compounds show inhibitory potencies at sub-micromolar levels against the catalytic domain of PDE7. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.01.067

文献信息

• Synthesis and evaluation of quinazoline derivatives as phosphodiesterase 7 inhibitors
  作者：Ana I. Sánchez、Valentín Martínez-Barrasa、Carolina Burgos、Juan J. Vaquero、Julio Alvarez-Builla、Emma Terricabras、Víctor Segarra

  DOI：10.1016/j.bmc.2013.01.067

  日期：2013.4

  The latest scientific findings concerning PDE7 and PDE4 inhibition suggest that selective small-molecule inhibitors of both enzymes could provide a novel approach to treat a variety of immunological diseases. In this context, we describe a new series of quinazoline derivatives from quinazolin-4-thiones which include a substituted biphenyl fragment. Some of these compounds show inhibitory potencies at sub-micromolar levels against the catalytic domain of PDE7. (C) 2013 Elsevier Ltd. All rights reserved.