8-iodo-5,7-dimethoxy-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-ethoxybenzoyl]quinazolinone | 1159283-03-0

• 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: 8-iodo-5,7-dimethoxy-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-ethoxybenzoyl]quinazolinone
• 英文别名: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-8-iodo-5,7-dimethoxy-3H-quinazolin-4-one
• CAS: 1159283-03-0
• 化学式: C₂₃H₂₇IN₄O₆S
• 分子量: 614.461
• InChiKey: QKZNLRUGWFXJAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  8-iodo-5,7-dimethoxy-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-ethoxybenzoyl]quinazolinone 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 以85%的产率得到5-hydroxy-8-iodo-7-methoxy-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-ethoxybenzoyl]quinazolinone
  参考文献：
  名称：

  2-Phenylquinazolin-4(3H)-one, a class of potent PDE5 inhibitors with high selectivity versus PDE6

  摘要：

  In our efforts to minimize the side effects associated with low selectivity against the other PDE isozymes, a novel class of 2-phenylquinazolin-4(3H)-one derivatives were designed and prepared as potent PDE5 inhibitors with high selectivity against PDE6. The syntheses and SAR studies of such molecules were reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.125
• 作为产物：
  描述：

  8-bromo-5,7-dimethoxy-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-ethoxybenzoyl]quinazolinone 在 copper(l) iodide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 4.0h， 以45%的产率得到5,7-dimethoxy-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-ethoxybenzoyl]quinazolinone
  参考文献：
  名称：

  2-Phenylquinazolin-4(3H)-one, a class of potent PDE5 inhibitors with high selectivity versus PDE6

  摘要：

  In our efforts to minimize the side effects associated with low selectivity against the other PDE isozymes, a novel class of 2-phenylquinazolin-4(3H)-one derivatives were designed and prepared as potent PDE5 inhibitors with high selectivity against PDE6. The syntheses and SAR studies of such molecules were reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.125