3-cyclopropyl-1-ethyl-3,7-dihydro-7-(5-oxohexyl)-1H-purine-2,6-dione | 135811-95-9

• 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-cyclopropyl-1-ethyl-3,7-dihydro-7-(5-oxohexyl)-1H-purine-2,6-dione
• 英文别名: 3-Cyclopropyl-1-ethyl-7-(5-oxohexyl)purine-2,6-dione
• CAS: 135811-95-9
• 化学式: C₁₆H₂₂N₄O₃
• 分子量: 318.376
• InChiKey: USIMJDQQCQJDEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  75.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Xanthine compound, method for preparing thereof, and a pharmaceutical composition comprising the same
  申请人：HOKURIKU PHARMACEUTICAL CO., LTD.

  公开号：EP0430025A2

  公开（公告）日：1991-06-05

  A novel xanthine compound having bronchodilating and brain function improving activity represented by the following formula (I) and (II): wherein R¹ represents a hydrogen atom, 4-methoxybenzyl group, a straight- or branched-chain alkyl group having 1 to 6 carbon atoms, or a cycloalkyl group having 3 to 6 carbon atoms; R² represents a hydrogen atom, a straight- or branched-chain alkyl group having 1 to 6 carbon atoms, or a cycloalkyl group having 3 to 6 carbon atoms; n represents an integer of from 1 to 4; and A represents -COCH₃ or - C(OR³)(OR⁴)CH₃ in which R³ and R⁴ independently represents an alkyl group having 1 to 3 carbon atoms or R³ together with R⁴ represents a polymethylene group having 2 to 4 carbon atoms is disclosed. Also disclosed are a pharmacologically acceptable salt of the same, method for preparing the same, and a pharmaceutical composition for the treatment of respiratory tract disease or brain disfunction comprising the effective amount of same.

  一种具有支气管扩张和改善脑功能活性的新型黄嘌呤化合物，由下式（I）和（II）表示： 其中 R¹ 代表氢原子、4-甲氧基苄基、具有 1 至 6 个碳原子的直链或支链烷基或具有 3 至 6 个碳原子的环烷基；R² 代表氢原子、具有 1 至 6 个碳原子的直链或支链烷基或具有 3 至 6 个碳原子的环烷基；n代表1至4的整数；以及A代表-COCH₃或-C(OR³)(OR⁴)CH₃，其中R³和R⁴分别代表具有1至3个碳原子的烷基或R³与R⁴一起代表具有2至4个碳原子的聚亚甲基。还公开了一种药理学上可接受的盐，制备方法，以及一种治疗呼吸道疾病或脑功能障碍的药物组合物，其中包含有效量的上述盐。