2-hydroxy-benzoic acid 2,4-diamino-quinazolin-6-yl methyl ester

• 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: 2-hydroxy-benzoic acid 2,4-diamino-quinazolin-6-yl methyl ester
• 英文别名: (2,4-Diaminoquinazolin-6-yl)methyl 2-hydroxybenzoate
• 化学式: C₁₆H₁₄N₄O₃
• 分子量: 310.312
• InChiKey: PVKITFTUYMBSJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  124
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• [EN] 2,4-DIAMINOQUINAZOLINE, 2-AMINO-4-HYDROXYPTERIDINE AND 2,4-DIAMINOPYRIMIDINE ESTER DERIVATIVES AS DIHYDROFOLATE REDUCTASE INHIBITORS<br/>[FR] DERIVES DE 2,4-DIAMINOQUINAZOLINE, 2-AMINO-4-HYDROXYPTERIDINE ET 2,4-DIAMINOPYRIMIDINE ESTER, EN TANT QU'INHIBITEURS DE LA DIHYDROFOLATE REDUCTASE
  申请人：MELACURE THERAPEUTICS AB

  公开号：WO2004020417A1

  公开（公告）日：2004-03-11

  This invention relates to novel esters of the general formula (III), which are Dihydrofolate Reductase Inhibitors; Wherein A is a heteroaromatic group, preferably selected from formula (a), formula (b), formula (c); Wherein Rl is either hydrogen or CH3; Wherein B is selected from formula (d), formula (e), formula (f), formula (g), formula (h), formula (i), formula (j): and salts thereof.