7-(6-hydroxy-hexyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione | 56395-70-1

• 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-(6-hydroxy-hexyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
• 英文别名: 1,3-dimethyl-7-(6-hydroxyhexyl)-xanthine；1,3-Dimethyl-7-(6-hydroxyhexyl)-xanthin；7-(6-hydroxyhexyl)-1,3-dimethylpurine-2,6-dione
• CAS: 56395-70-1
• 化学式: C₁₃H₂₀N₄O₃
• 分子量: 280.327
• InChiKey: WPHMRMYOYROJQY-UHFFFAOYSA-N

物化性质

• 沸点：
  512.5±56.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  78.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7-(6-bromohexyl)-1,3-dimethyl-3,7-dihydropurine-2,6-dione 在 potassium acetate 、 乙酸酐 作用下， 以 甲醇 、 硫酸 、 溶剂黄146 为溶剂， 以90%的产率得到7-(6-hydroxy-hexyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Pharmaceutical compositions

  摘要：

  一种药物组合物，其主要成分为公式##STR1##中的化合物，其中R.sub.1、R.sub.2和R.sub.3中的一个是具有5至8个碳原子的ω-或(ω-1)-羟基烷基基团，羟基团至少与黄嘌呤核之间相隔2个碳原子，基团R.sub.1和R.sub.3不是羟基烷基基团，则为氢或甲基，可以相同也可以不同，而R.sub.2是所述的羟基烷基基团或甲基，化合物的公式为(I)，以及用于治疗涉及脑血流不足疾病的药物产品。

  公开号：

  US04515795A1

文献信息

• Potentiation of cADPR-Induced Ca²⁺-Release by Methylxanthine Analogues
  作者：Rosaria A. Cavallaro、Luigi Filocamo、Annamaria Galuppi、Antony Galione、Mario Brufani、Armando A. Genazzani

  DOI：10.1021/jm980469t

  日期：1999.7.1

  Caffeine and other methylxanthines are known to induce Ca2+-release from intracellular stores via the ryanodine receptor. In the present work, a range of caffeine analogues, in which methyl groups at the 1 and 7 positions were replaced with alkyl chains containing different functional groups (oxo, hydroxyl, propargyl, ester, and acids), were synthesized. These compounds were then screened for their ability to potentiate Ca2+-release induced by cADPR (an endogenous modulator of ryanodine receptors) in sea urchin egg homogenates. Two of the synthesized methylxanthines, 1,3-dimethyl-7-(7-hydroxyoctyl)xanthine (37) and 3-methyl-7-(7-oxooctyl)-1-propargylxanthine (66), were shown to be more potent than caffeine in potentiating cADPR-induced Ca2+-release, while 1,3-dimethyl-7-(5-ethylcarboxypentyl)xanthine (14) was shown to be more efficacious. The development of new methylxanthine analogues may lead to a better understanding of ryanodine receptor function and could possibly provide novel therapeutic agents.
• US4515795A
  申请人：——

  公开号：US4515795A

  公开（公告）日：1985-05-07
• US4576947A
  申请人：——

  公开号：US4576947A

  公开（公告）日：1986-03-18
• US5288721A
  申请人：——

  公开号：US5288721A

  公开（公告）日：1994-02-22
• Pharmaceutical compositions
  申请人：Hoechst Aktiengesellschaft

  公开号：US04515795A1

  公开（公告）日：1985-05-07

  A pharmaceutical composition containing as an essential ingredient a compound of the formula ##STR1## wherein one of the groups R.sub.1, R.sub.2 and R.sub.3 is an .omega.- or (.omega.-1)-hydroxyalkyl group having from 5 to 8 carbon atoms in which the hydroxy group is separated from the xanthine nucleus by at least 2 carbon atoms, radicals R.sub.1 and R.sub.3 which are no hydroxyalkyl group, are hydrogen or methyl and equal or different, and R.sub.2 is said hydroxyalkyl group or methyl, a compound of formula (I) and a pharmaceutical product for treatment of diseases involving insufficiency of cerebral blood flow.

  一种药物组合物，其主要成分为公式##STR1##中的化合物，其中R.sub.1、R.sub.2和R.sub.3中的一个是具有5至8个碳原子的ω-或(ω-1)-羟基烷基基团，羟基团至少与黄嘌呤核之间相隔2个碳原子，基团R.sub.1和R.sub.3不是羟基烷基基团，则为氢或甲基，可以相同也可以不同，而R.sub.2是所述的羟基烷基基团或甲基，化合物的公式为(I)，以及用于治疗涉及脑血流不足疾病的药物产品。