5,6-二氨基-2-(2-丙氧苯基)-4(1H)-嘧啶酮 | 57075-34-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 5,6-二氨基-2-(2-丙氧苯基)-4(1H)-嘧啶酮
• 中文别名: 5,6-二氨基-2-(2-丙氧苯基)-4(1H)嘧啶酮
• 英文名称: 2-(2-Propyloxyphenyl)-5,6-diamino-3,4-dihydro-pyrimidin-4-on
• 英文别名: 5,6-diamino-2-(2-propoxyphenyl)-4(3H)-pyrimidinone；4,5-diamino-2-(2-propoxyphenyl)pyrimidin-6-one；5,6-diamino-2-(2-propoxy-phenyl)-3H-pyrimidin-4-one；5,6-Diamino-2-(2-propoxyphenyl)pyrimidin-4(3H)-one；4,5-diamino-2-(2-propoxyphenyl)-1H-pyrimidin-6-one
• CAS: 57075-34-0
• 化学式: C₁₃H₁₆N₄O₂
• 分子量: 260.296
• InChiKey: YLVZOEKLCUJRSK-UHFFFAOYSA-N

物化性质

• 熔点：
  162-164 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  401.5±55.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

制备方法与用途

用途：敏喘宁的中间体。

反应信息

• 作为反应物：
  描述：

  5,6-二氨基-2-(2-丙氧苯基)-4(1H)-嘧啶酮 在 N,N'-羰基二咪唑 作用下， 以 甲苯 为溶剂， 生成 2-(2-Propoxyphenyl)purine-6,8-dione
  参考文献：
  名称：

  Purinone derivatives which have bronchodilator, vasodilator and

  摘要：

  本发明涉及具有支气管扩张剂、血管扩张剂和抗过敏活性的嘌呤酮衍生物。该发明的化合物是2-(2-丙氧基苯基)-6-嘌呤酮。

  公开号：

  US04885301A1

文献信息

• Pharmaceutically active compounds
  申请人：Pfizer Inc.

  公开号：US06440982B1

  公开（公告）日：2002-08-27

  There is provided compounds of formula IA and of formula IB, wherein R1, R2, R3, Het1 and X have meanings given in the description, which are useful in the curative and prophylactic treatment of medical conditions for which inhibition of a cyclic guanosine 3′,5′-monophosphate phosphodiesterase (e.g. cGMP PDE5) is desired.

  提供了化合物的结构式IA和结构式IB，其中R1、R2、R3、Het1和X的含义如描述中所示，这些化合物在治疗和预防需要抑制环状鸟苷3′,5′-单磷酸磷酸二酯酶（例如cGMP PDE5）的医疗状况方面是有用的。
• 2-Substituted purinone having phosphodiesterase inhibitory activity
  申请人：Smith Kline & French Laboratories, Ltd.

  公开号：US05073559A1

  公开（公告）日：1991-12-17

  This invention relates to phenylpurinone derivatives which have bronchodilator and anti-allergic activities. A compound of the invention is 2-(2-propoxy-5-chlorophenyl)purin-6-one.

  这项发明涉及具有支气管扩张剂和抗过敏活性的苯基嘌呤酮衍生物。该发明的化合物是2-(2-丙氧基-5-氯苯基)嘌呤-6-酮。
• Purinone derivatives which have bronchodilator, vasodilator and
  申请人：Smith Kline & French Laboratories Limited

  公开号：US04885301A1

  公开（公告）日：1989-12-05

  This invention relates to purinone derivatives which have bronchodilator, vasodilator and anti-allergic activities. A compound of the invention is 2-(2-propoxyphenyl)-6-purinone.

  本发明涉及具有支气管扩张剂、血管扩张剂和抗过敏活性的嘌呤酮衍生物。该发明的化合物是2-(2-丙氧基苯基)-6-嘌呤酮。
• 2-Phenylpurinone derivatives, processes for their preparation, and their use as well as intermediates
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0293063A1

  公开（公告）日：1988-11-30

  Compounds of the formula (1) : and pharmaceutically acceptable salts thereof are described, wherein R¹ is C1-6alkyl or C2-6alkenyl, and R² is hydrogen or hydroxy. These compounds have vasodilator, bronchodilator and anti-allergic properties. Pharmaceutical compositions are described as are methods of use. Processes for the preparation of the compounds of the formula (1) are described.

  描述了式 (1) ： 及其药学上可接受的盐类，其中 R¹ 是 C1-6 烷基或 C2-6 烯基，R² 是氢或羟基。 这些化合物具有血管扩张、支气管扩张和抗过敏特性。此外，还介绍了药物组合物和使用方法。描述了制备式（1）化合物的工艺。
• Purine compounds, process for their preparation and pharmaceutical compositions
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0352960A2

  公开（公告）日：1990-01-31

  Compounds of the formula (1): and pharmaceutically acceptable salts thereof, wherein R¹ is C???alkyl, C???alkenyl, C???cycloalkylC???alkyl, phenylC???alkyl or C???alkyl substituted by 1 to 6 fluoro groups; R² is hydrogen, hydroxy, C???alkyl, phenyl, mercapto, C???alkylthio, CF? or amino; R³ is hydrogen, nitro, amino, C???alkanoylamino, C???­alkoxy, C???alkyl, halo, SO?NR?R?, CONR?R?, cyano or C???alkylS(O)n; R? and R? are independently hydrogen or C???alkyl; and n is 0, 1 or 2; provided that R³ is not hydrogen when R¹ is C???alkyl or C???alkenyl and R² is hydrogen or hydroxy. Processes for their preparation, pharmaceutical compositions comprising them and their use as medicaments are described.

  式（1）的化合物： 及其药学上可接受的盐，其中 R¹ 是 C???烷基、C???烯基、C???环烷基 C???烷基、苯基 C???烷基或被 1 至 6 个氟基团取代的 C??烷基； R² 是氢、羟基、C??烷基、苯基、巯基、C??烷硫基、CF?或氨基； R³ 是氢、硝基、氨基、C???烷酰氨基、C???烷氧基、C??烷基、卤素、SO?NR?R?、CONR?R?、氰基或 C??烷基S(O)n； R? 和 R? 独立地为氢或 C??烷基；以及 n 是 0、1 或 2； 当 R¹ 为 C???烷基或 C???烯基，且 R² 为氢或羟基时，R³ 不是氢。本文介绍了它们的制备方法、包含它们的药物组合物以及它们作为药物的用途。