3,7-Dimethyl-1-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]purine-2,6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 3,7-Dimethyl-1-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]purine-2,6-dione
• 化学式: C₁₇H₁₇N₅O₅S
• 分子量: 403.418
• InChiKey: QDXGCUYCZIHENV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  121
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  可可碱 在 sodium methylate 、 sodium iodide 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 100.5h， 生成 3,7-Dimethyl-1-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]purine-2,6-dione
  参考文献：
  名称：

  Synthesis, brain antihypoxic activity and cell neuroprotection of 1-substituted-3,7-dimethylxanthines

  摘要：

  Five newly synthesised original compounds were investigated for acute toxicity, influence on hexobarbital sleeping time, effect on the locomotor activity, and brain antihypoxic activity. Two of the compounds were tested in a model of glutamate induced neurotoxicity in the brain cell culture using a cell viability test. Our studies indicate that compounds 2a-c and 4 prolonged the survival time of mice in the model of anoxic hypoxia. Only compound 3 expressed antihypoxic activity in the model of circulatory hypoxia, evaluated with a statistical significant increase of the survival time. Compound 4 (1-[3-(2,3-dihydro-3-oxobenzisosulfonazol-neurotoxicity 2-yl)-propyl]-3,7-dimethylxanthine) in concentration range 0.3-3 muM statistically significantly antagonised the glutamate induced neurotoxicity. Compound 4 is important for further investigations on in vivo models of brain dementia. (C) 2000 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)01172-7

文献信息

• Synthesis, brain antihypoxic activity and cell neuroprotection of 1-substituted-3,7-dimethylxanthines
  作者：A Zlatkov、P Peikov、J Rodriguez-Alvarez、N Danchev、I Nikolova、J Mitkov

  DOI：10.1016/s0223-5234(00)01172-7

  日期：2000.10

  Five newly synthesised original compounds were investigated for acute toxicity, influence on hexobarbital sleeping time, effect on the locomotor activity, and brain antihypoxic activity. Two of the compounds were tested in a model of glutamate induced neurotoxicity in the brain cell culture using a cell viability test. Our studies indicate that compounds 2a-c and 4 prolonged the survival time of mice in the model of anoxic hypoxia. Only compound 3 expressed antihypoxic activity in the model of circulatory hypoxia, evaluated with a statistical significant increase of the survival time. Compound 4 (1-[3-(2,3-dihydro-3-oxobenzisosulfonazol-neurotoxicity 2-yl)-propyl]-3,7-dimethylxanthine) in concentration range 0.3-3 muM statistically significantly antagonised the glutamate induced neurotoxicity. Compound 4 is important for further investigations on in vivo models of brain dementia. (C) 2000 Editions scientifiques et medicales Elsevier SAS.