7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione | 114607-12-4

• 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: 7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
• CAS: 114607-12-4
• 化学式: C₉H₁₂N₄O₃S
• 分子量: 256.285
• InChiKey: WMBPJRWCCQFXRP-UHFFFAOYSA-N

物化性质

• 沸点：
  329.8±52.0 °C(Predicted)
• 密度：
  1.54±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  97.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione 、 4-isobutoxycarbonylphenoxy-2,3-epoxypropane 在 2,6-二甲基吡啶 作用下， 以 乙醇 为溶剂， 以74%的产率得到2-Methylpropyl 4-[2-hydroxy-3-[7-(methoxymethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanylpropoxy]benzoate
  参考文献：
  名称：

  8-Substituted purine derivatives: a new class of lipid-lowering agents

  摘要：

  A series of purine derivatives have been prepared and their in vivo abilities to lower plasma total cholesterol and triglyceride levels, and to elevate high density lipoprotein (HDL) cholesterol levels in hyperlipemic rats have been tested. Some compounds, among which 8-{2-(R)-hydroxy-3-[(p-isobutoxycarbonyl)phenoxy]propylthio}adenosine 31, 8-{3-[(p-isobutoxy carbonyl)phenoxy]-2-oxopropylthio} adenosine 33 and 8-{3-[(p-isobutoxycarbonyl)phenoxy]-2-hydrazonecarboxamidepropylthio} adenosine 36 appear to be the most interesting, have been found to have both the desired profile of activity and no hepatotoxicity, when administered po at 50, 100 or 300 mg/kg. Compounds 31, 33 and 36, orally tested at the same doses in the 15-d test, lower triglyceride and VLDL/LDL (very low density lipoprotein/low density lipoprotein) cholesterol levels by 10-33% and 13-46%, respectively, and increase HDL-associated cholesterol levels by 10-32%. These molecules have been chosen for further pharmacological and toxicological evaluations.

  DOI：

  10.1016/0223-5234(94)90098-1
• 作为产物：
  描述：

  8-溴茶碱 在 硫化氢 作用下， 以 吡啶 为溶剂， 生成 7-(methoxymethyl)-1,3-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
  参考文献：
  名称：

  8-Substituted purine derivatives: a new class of lipid-lowering agents

  摘要：

  A series of purine derivatives have been prepared and their in vivo abilities to lower plasma total cholesterol and triglyceride levels, and to elevate high density lipoprotein (HDL) cholesterol levels in hyperlipemic rats have been tested. Some compounds, among which 8-{2-(R)-hydroxy-3-[(p-isobutoxycarbonyl)phenoxy]propylthio}adenosine 31, 8-{3-[(p-isobutoxy carbonyl)phenoxy]-2-oxopropylthio} adenosine 33 and 8-{3-[(p-isobutoxycarbonyl)phenoxy]-2-hydrazonecarboxamidepropylthio} adenosine 36 appear to be the most interesting, have been found to have both the desired profile of activity and no hepatotoxicity, when administered po at 50, 100 or 300 mg/kg. Compounds 31, 33 and 36, orally tested at the same doses in the 15-d test, lower triglyceride and VLDL/LDL (very low density lipoprotein/low density lipoprotein) cholesterol levels by 10-33% and 13-46%, respectively, and increase HDL-associated cholesterol levels by 10-32%. These molecules have been chosen for further pharmacological and toxicological evaluations.

  DOI：

  10.1016/0223-5234(94)90098-1

文献信息

• US5470858A
  申请人：——

  公开号：US5470858A

  公开（公告）日：1995-11-28
• 8-Substituted purine derivatives: a new class of lipid-lowering agents
  作者：E Vanotti、M Bani、D Favara、M Gobetti、M Lombroso、S Magnetti、V Olgiati、M Palladino、GC Tonon

  DOI：10.1016/0223-5234(94)90098-1

  日期：1994.1

  A series of purine derivatives have been prepared and their in vivo abilities to lower plasma total cholesterol and triglyceride levels, and to elevate high density lipoprotein (HDL) cholesterol levels in hyperlipemic rats have been tested. Some compounds, among which 8-2-(R)-hydroxy-3-[(p-isobutoxycarbonyl)phenoxy]propylthio}adenosine 31, 8-3-[(p-isobutoxy carbonyl)phenoxy]-2-oxopropylthio} adenosine 33 and 8-3-[(p-isobutoxycarbonyl)phenoxy]-2-hydrazonecarboxamidepropylthio} adenosine 36 appear to be the most interesting, have been found to have both the desired profile of activity and no hepatotoxicity, when administered po at 50, 100 or 300 mg/kg. Compounds 31, 33 and 36, orally tested at the same doses in the 15-d test, lower triglyceride and VLDL/LDL (very low density lipoprotein/low density lipoprotein) cholesterol levels by 10-33% and 13-46%, respectively, and increase HDL-associated cholesterol levels by 10-32%. These molecules have been chosen for further pharmacological and toxicological evaluations.