5,6,7-trimethoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one | 1133444-14-0

• 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: 5,6,7-trimethoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
• CAS: 1133444-14-0
• 化学式: C₂₁H₂₁N₅O₅
• 分子量: 423.428
• InChiKey: SLLRQZDJYKDOAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4,5,6-trimethoxyisatoic anhydride 、 1-(6-methoxy-4-methylquinazolin-2-yl)guanidine 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 5,6,7-trimethoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
  参考文献：
  名称：

  Quinazolin-2-ylamino-quinazolin-4-ols as novel non-nucleoside inhibitors of bacterial DNA polymerase III

  摘要：

  High throughput screening led to the discovery of a novel series of quinazolin-2-ylamino-quinazolin-4-ols as a new class of DNA polymerase III inhibitors. The inhibition of chromosomal DNA replication results in bacterial cell death. The synthesis, structure-activity relationships and functional activity are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.038

文献信息

• Quinazolin-2-ylamino-quinazolin-4-ols as novel non-nucleoside inhibitors of bacterial DNA polymerase III
  作者：Joseph Guiles、Xicheng Sun、Ian A. Critchley、Urs Ochsner、Ming Tregay、Kim Stone、Jennifer Bertino、Louis Green、Rob Sabin、Frank Dean、H. Garry Dallmann、Charles S. McHenry、Nebojsa Janjic

  DOI：10.1016/j.bmcl.2008.12.038

  日期：2009.2

  High throughput screening led to the discovery of a novel series of quinazolin-2-ylamino-quinazolin-4-ols as a new class of DNA polymerase III inhibitors. The inhibition of chromosomal DNA replication results in bacterial cell death. The synthesis, structure-activity relationships and functional activity are described. (C) 2008 Elsevier Ltd. All rights reserved.