1,8-dimethyl-3-(2-methylbutyl)-xanthine-7-carboxylic acid, methyl ester | 65029-12-1

• 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: 1,8-dimethyl-3-(2-methylbutyl)-xanthine-7-carboxylic acid, methyl ester
• 英文别名: Methyl 1,8-dimethyl-3-(2-methylbutyl)-2,6-dioxopurine-7-carboxylate
• CAS: 65029-12-1
• 化学式: C₁₄H₂₀N₄O₄
• 分子量: 308.337
• InChiKey: IVSIEJNJCOMQOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  84.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  维罗茶碱 、 氯甲酸甲酯 以 四氢呋喃 为溶剂， 以82%的产率得到1,8-dimethyl-3-(2-methylbutyl)-xanthine-7-carboxylic acid, methyl ester
  参考文献：
  名称：

  Xanthine compounds and method of treating bronchospastic and allergic

  摘要：

  支气管哮喘和其他支气管痉挛和过敏疾病可通过给予具有以下式子的取代黄嘌呤化合物的有效量来治疗：##STR1## 其中：R.sub.1 = C.sub.1-C.sub.3烷基，R.sub.3 = c.sub.1-c.sub.7烷基，C.sub.3-C.sub.7烯基，C.sub.3-C.sub.7炔基，C.sub.3-C.sub.7环烷基或C.sub.4-C.sub.7环烷基烷基，R.sub.8 = h，c.sub.1-c.sub.4烷基，C.sub.3-C.sub.4烯基，C.sub.3-C.sub.4炔基或C.sub.3-C.sub.4环烷基，R = c.sub.1-c.sub.4烷基，2-卤代C.sub.2-C.sub.3烷基或苯基。揭示了新颖和优选的支气管扩张剂和抗过敏化合物，其具有以下式子：##STR2## 其中：R.sub.1 = C.sub.1-C.sub.2烷基，R.sub.3 = ch.sub.2--(c.sub.3-c.sub.4烷基)，--CH.sub.2--(C.sub.3-C.sub.4烯基)或--CH.sub.2--(C.sub.3-C.sub.4环烷基)，R.sub.8 = h，c.sub.1-c.sub.2烷基，R = c.sub.1-c.sub.4烷基，2-卤代C.sub.2-C.sub.3烷基或苯基。支气管扩张剂和抗过敏剂可以以片剂、胶囊或气雾剂的形式给予。

  公开号：

  US04120947A1

文献信息

• US4120947A
  申请人：——

  公开号：US4120947A

  公开（公告）日：1978-10-17
• Xanthine compounds and method of treating bronchospastic and allergic
  申请人：Cooper Laboratories, Inc.

  公开号：US04120947A1

  公开（公告）日：1978-10-17

  Bronchial asthma and other bronchospastic and allergic diseases are treated by administering an effective amount of a substituted xanthine compound having the formula: ##STR1## wherein: R.sub.1 = C.sub.1 -C.sub.3 alkyl, R.sub.3 = c.sub.1 -c.sub.7 alkyl, C.sub.3 -C.sub.7 alkenyl, C.sub.3 -C.sub.7 alkynyl, C.sub.3 -C.sub.7 cycloalkyl or C.sub.4 -C.sub.7 cycloalkylalkyl, R.sub.8 = h, c.sub.1 -c.sub.4 alkyl, C.sub.3 -C.sub.4 alkenyl, C.sub.3 -C.sub.4 alkynyl or C.sub.3 -C.sub.4 cycloalkyl, R = c.sub.1 -c.sub.4 alkyl, 2-halo C.sub.2 -C.sub.3 alkyl, or phenyl Novel and preferred bronchodilator and antiallergy compounds are disclosed having the formula ##STR2## wherein: R.sub.1 = C.sub.1 -C.sub.2 alkyl R.sub.3 = ch.sub.2 --(c.sub.3 -c.sub.4 alkyl),--CH.sub.2 --(C.sub.3 -C.sub.4 alkenyl), or --CH.sub.2 --(C.sub.3 -C.sub.4 cycloalkyl) R.sub.8 = h, c.sub.1 -c.sub.2 alkyl, R = c.sub.1 -c.sub.4 alkyl, 2-halo C.sub.2 -C.sub.3 alkyl, or phenyl The bronchodilator and antiallergy agents may be administered in the form of tablets, capsules or aerosols.

  支气管哮喘和其他支气管痉挛和过敏疾病可通过给予具有以下式子的取代黄嘌呤化合物的有效量来治疗：##STR1## 其中：R.sub.1 = C.sub.1-C.sub.3烷基，R.sub.3 = c.sub.1-c.sub.7烷基，C.sub.3-C.sub.7烯基，C.sub.3-C.sub.7炔基，C.sub.3-C.sub.7环烷基或C.sub.4-C.sub.7环烷基烷基，R.sub.8 = h，c.sub.1-c.sub.4烷基，C.sub.3-C.sub.4烯基，C.sub.3-C.sub.4炔基或C.sub.3-C.sub.4环烷基，R = c.sub.1-c.sub.4烷基，2-卤代C.sub.2-C.sub.3烷基或苯基。揭示了新颖和优选的支气管扩张剂和抗过敏化合物，其具有以下式子：##STR2## 其中：R.sub.1 = C.sub.1-C.sub.2烷基，R.sub.3 = ch.sub.2--(c.sub.3-c.sub.4烷基)，--CH.sub.2--(C.sub.3-C.sub.4烯基)或--CH.sub.2--(C.sub.3-C.sub.4环烷基)，R.sub.8 = h，c.sub.1-c.sub.2烷基，R = c.sub.1-c.sub.4烷基，2-卤代C.sub.2-C.sub.3烷基或苯基。支气管扩张剂和抗过敏剂可以以片剂、胶囊或气雾剂的形式给予。