N4-(3-chloro-4-methoxybenzyl)-N7-(2-aminoethyl)-6-nitroquinazoline-4,7-diamine | 1097204-02-8

• 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: N4-(3-chloro-4-methoxybenzyl)-N7-(2-aminoethyl)-6-nitroquinazoline-4,7-diamine
• 英文别名: 7-N-(2-aminoethyl)-4-N-[(3-chloro-4-methoxyphenyl)methyl]-6-nitroquinazoline-4,7-diamine
• CAS: 1097204-02-8
• 化学式: C₁₈H₁₉ClN₆O₃
• 分子量: 402.84
• InChiKey: RFOKHUPLFHKDCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  131
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(3-chloro-4-methoxybenzyl)-7-chloro-6-nitroquinazolin-4-amine 、 乙二胺 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 N4-(3-chloro-4-methoxybenzyl)-N7-(2-aminoethyl)-6-nitroquinazoline-4,7-diamine
  参考文献：
  名称：

  Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction

  摘要：

  In an effort to minimize side effects associated with low selectivity against PDE isozymes, we have successfully identified a series of 6,7,8-substituted quinzaolines as potent inhibitors of PDE5 with high level of isozyme selectivity, especially against PDE6 and PDE11. PDE5 potency and isozyme selectivity of quinazolines were greatly improved with substitutions both at 6- and 8-position. The synthesis, structure activity relationships and in vivo efficacy of this novel series of potent PDE5 inhibitors are described. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.09.108

文献信息

• Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction
  作者：Young Hoon Kim、Hojin Choi、Jaekwang Lee、In-Chang Hwang、Seung Kee Moon、Soo Jin Kim、Hong Woo Lee、Dai Sig Im、Sung Sook Lee、Soon Kil Ahn、Sang Woong Kim、Cheol Kyu Han、Jeong Hyeok Yoon、Kyung Joo Lee、Nam Song Choi

  DOI：10.1016/j.bmcl.2008.09.108

  日期：2008.12

  In an effort to minimize side effects associated with low selectivity against PDE isozymes, we have successfully identified a series of 6,7,8-substituted quinzaolines as potent inhibitors of PDE5 with high level of isozyme selectivity, especially against PDE6 and PDE11. PDE5 potency and isozyme selectivity of quinazolines were greatly improved with substitutions both at 6- and 8-position. The synthesis, structure activity relationships and in vivo efficacy of this novel series of potent PDE5 inhibitors are described. (C) 2008 Elsevier Ltd. All rights reserved.