9-(cyclopropylmethyl)-1-methyl-8-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1H-purine-2,6(3H,9H)-dione | 1228356-55-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 9-(cyclopropylmethyl)-1-methyl-8-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1H-purine-2,6(3H,9H)-dione
• 英文别名: 9-(cyclopropylmethyl)-1-methyl-8-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3H-purine-2,6-dione
• CAS: 1228356-55-5
• 化学式: C₁₇H₁₉N₅O₂S
• 分子量: 357.436
• InChiKey: BNATYZWLFHVZJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-(cyclopropylmethylamino)-3-methyl-5-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethylideneamino)-1H-pyrimidine-2,4-dione 在 偶氮二甲酸二乙酯 作用下， 以 甲苯 为溶剂， 生成 9-(cyclopropylmethyl)-1-methyl-8-(4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1H-purine-2,6(3H,9H)-dione
  参考文献：
  名称：

  Synthesis of Novel 3,7-Dihydro-purine-2,6-dione Derivatives

  摘要：

  Forty-six novel 3,7-dihydro-purine-2,6-dione derivatives (substituted xanthines) with great structural diversity were synthesized for biological activity screening. Three series of substituted xanthine analogs have been prepared in moderate to excellent yields.

  DOI：

  10.1080/00397910903097260