N-(2-二甲基氨基乙基)-4-(2,6-二氧代-1,3-二丙基-7H-嘌呤-8-基)-N-甲基苯磺酰胺 | 107478-35-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: N-(2-二甲基氨基乙基)-4-(2,6-二氧代-1,3-二丙基-7H-嘌呤-8-基)-N-甲基苯磺酰胺
• 中文别名: [5-(乙酰基氨基)-1-甲基-1H-咪唑-2-基]甲基氨基甲酸酯
• 英文名称: N-(2-(Dimethylamino)ethyl)-N-methyl-4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)benzenesulfonamide
• 英文别名: N-[2-(dimethylamino)ethyl]-4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-N-methylbenzenesulfonamide
• CAS: 107478-35-3
• 化学式: C₂₂H₃₂N₆O₄S
• 分子量: 476.6
• InChiKey: RWNRBPFXDDCJTH-UHFFFAOYSA-N

物化性质

• 沸点：
  667.9±65.0 °C(Predicted)
• 密度：
  1.258±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• 2-Aminopyridine compounds and use thereof as drugs
  申请人：——

  公开号：US20040006082A1

  公开（公告）日：2004-01-08

  The present invention provides 2-aminopyridine compound having an excellent adenosine receptor (A 1 , A 2a , A 2b receptors) antagonism, which is represented by the following formula: 1 (wherein, R 1 represents cyano group, carboxyl group or an optionally substituted carbamoyl group; R 2 represents hydrogen atom, hydroxyl group, an optionally substituted C 1-6 alkoxy group, an optionally substituted C 6-14 aromatic hydrocarbon cyclic group or an optionally substituted 5- to 14-membered aromatic heterocyclic group; and R 3 and R 4 are the same as or different from each other and each represents a C 6-14 aromatic hydrocarbon cyclic group, a 5- to 14-membered non-aromatic heterocyclic group or a 5- to 14-membered aromatic heterocyclic group which may be substituted, respectively) or a salt thereof.

  本发明提供了一种具有优异腺苷受体（A1、A2a、A2b 受体）拮抗作用的 2-氨基吡啶化合物，其化学式如下：1（其中，R1代表氰基、羧基或可选择取代的氨基甲酰基；R2代表氢原子、羟基、可选择取代的C1-6烷氧基、可选择取代的C6-14芳香烃环基或可选择取代的 5-到 14-成员芳香杂环基；R3和 R4相同或不同，分别代表 C6-14芳香烃环基、 5-到 14-成员非芳香杂环基或可选择取代的 5-到 14-成员芳香杂环基，或其盐。
• PYRIMIDINE COMPOUNDS AND MEDICINAL COMPOSITION THEREOF
  申请人：Harada Hitoshi

  公开号：US20090030023A1

  公开（公告）日：2009-01-29

  A compound represented by the following formula (I), a salt, or a solvate thereof: wherein, R 1 and R 2 are the same as or different from each other and each represents a hydrogen atom, an alkyl group, an alkenyl group, an alkynyl group, a cycloalkyl group, a cycloalkenyl group, a non-aromatic heterocyclic group, an aromatic hydrocarbon cyclic group, an aromatic heterocyclic group, an acyl group or an alkylsulfonyl group all of which may be substituted and wherein one, or both, of R 1 or R 2 is an aromatic, or non-aromatic, heterocyclic group which may be substituted; R 3 represents a hydrogen atom, a halogen atom, a cyano group, an alkyl group, an alkenyl group, an alkynyl group, an aromatic hydrocarbon cyclic group, an aromatic heterocyclic group, a nitrogen atom, an oxygen atom or a sulfur atom all of which may be substituted if possible; and R 4 is a pyridyl group which may be substituted.

  以下是化合物（I）的化学式，盐或其溶剂化物： 其中，R1和R2相同或不同，每个代表氢原子，烷基，烯基，炔基，环烷基，环烯基，非芳香杂环基，芳香烃环基，芳香杂环基，酰基或烷基磺酰基，所有这些基团都可以被取代，其中R1或R2中的一个或两个是可能被取代的芳香或非芳香杂环基；R3代表氢原子，卤素原子，氰基，烷基，烯基，炔基，芳香烃环基，芳香杂环基，氮原子，氧原子或硫原子，所有这些基团都可以被取代；R4是可能被取代的吡啶基团。
• Pharmaceutical composition promoting defecation
  申请人：Yasuda Masahiro

  公开号：US20070054876A1

  公开（公告）日：2007-03-08

  The present invention provides a medicament having a gentle but strong defecation-promoting action without causing diarrhea. That is, it provides a defecation-promoting agent comprising a compound having an adenosine A 2 receptor antagonism, preferably an adenosine A 2b receptor antagonism, or a salt thereof.

  本发明提供了一种药物，具有温和但强效的促排便作用，而不会引起腹泻。也就是说，它提供了一种促排便剂，包括具有腺苷A2受体拮抗作用的化合物，优选为腺苷A2b受体拮抗作用的化合物或其盐。
• PYRIMIDINE COMPOUND AND MEDICINAL COMPOSITION THEREOF
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1439175B1

  公开（公告）日：2011-04-27
• 2-AMINOPYRIDINE COMPOUNDS AND USE THEREOF AS DRUGS
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1308441B1

  公开（公告）日：2009-10-07