1,3-二甲基-8-丙-2-烯基-7H-嘌呤-2,6-二酮 | 74039-62-6

• 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: 1,3-二甲基-8-丙-2-烯基-7H-嘌呤-2,6-二酮
• 英文名称: 8-allyltheophylline
• 英文别名: 8-allyl-1,3-dimethyl-3,7-dihydro-purine-2,6-dione；8-Allyl-1,3-dimethyl-3,7-dihydro-purin-2,6-dion；8-Allyl-theophyllin；1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
• CAS: 74039-62-6
• 化学式: C₁₀H₁₂N₄O₂
• 分子量: 220.231
• InChiKey: SUFDPQNULQXJTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-二甲基-8-丙-2-烯基-7H-嘌呤-2,6-二酮 在 sodium hydroxide 作用下， 反应 1.0h， 生成 (E)-8-(1-propenyl)theophylline
  参考文献：
  名称：

  New synthetic approach to 8-allyltheophylline

  摘要：

  The synthesis of 8-allyltheophylline (8) from 5,6-diamino-1,3-dimethyluracil (1) and 3-butenoic acid by Traube's method via 6-amino-5-93-butenoylamino)-1,3-dimethyluracil (2) failed because an attempted alkaline cyclization of the intermediate 2 afforded (E)-8-(1-propenyl)-theophylline (3) under rearrangement of the terminal C=C bond. Therefore, the cyclodehydratation of 6-(3-butenylamino)-5-nitroso-1,3-dimethyluracil (7), available from 6-chloro-1,3-dimethyluracil (5) via 6-(3-butenylamino) derivative 6 has to bc used for obtaining the required product 8.

  DOI：

  10.1007/bf00811849
• 作为产物：
  描述：

  5,6-二氨基-1,3-二甲基脲嘧啶 在 base 作用下， 以 水 为溶剂， 反应 1.0h， 生成 1,3-二甲基-8-丙-2-烯基-7H-嘌呤-2,6-二酮
  参考文献：
  名称：

  New synthetic approach to 8-allyltheophylline

  摘要：

  The synthesis of 8-allyltheophylline (8) from 5,6-diamino-1,3-dimethyluracil (1) and 3-butenoic acid by Traube's method via 6-amino-5-93-butenoylamino)-1,3-dimethyluracil (2) failed because an attempted alkaline cyclization of the intermediate 2 afforded (E)-8-(1-propenyl)-theophylline (3) under rearrangement of the terminal C=C bond. Therefore, the cyclodehydratation of 6-(3-butenylamino)-5-nitroso-1,3-dimethyluracil (7), available from 6-chloro-1,3-dimethyluracil (5) via 6-(3-butenylamino) derivative 6 has to bc used for obtaining the required product 8.

  DOI：

  10.1007/bf00811849

文献信息

• Salicylamides as serine protease inhibitors
  申请人：——

  公开号：US20020052343A1

  公开（公告）日：2002-05-02

  The present invention provides novel compounds of Formula I: 1 its prodrug forms, or pharmaceutically acceptable salts thereof. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals. The present invention also provides a process for the selective acylation of an amino group.

  本发明提供了Formula I的新化合物、其前药形式或其药用可接受的盐。本发明的化合物是丝氨酸蛋白酶、尿激酶（uPA）、凝血因子Xa（FXa）和/或凝血因子VIIa（FVIIa）的抑制剂，并且具有作为抗癌剂和/或抗凝剂在哺乳动物中治疗或预防血栓栓塞性疾病的用途。本发明还提供了一种选择性酰化氨基团的方法。
• Non-amidine containing protease inhibitors
  申请人：——

  公开号：US20030225036A1

  公开（公告）日：2003-12-04

  The present invention provides novel compounds of the Formula (I) its prodrug forms, or pharmaceutically acceptable salts thereof. Preferred (I) compounds of the present invention comprise a pyrrolo pyridinyl, pyrrolo pyrimidinyl or indole nucleus. The compounds of this invention are inhibitors of Factor Xa (FXa), Factor VIIa (FVIIa) and/or serine proteases, Urokinase (uPA), and have utility as anti-coagulants for the treatment or prevention of thromboembolic disorders in mammals and as anticancer agents. 1

  本发明提供了公式（I）的新化合物，其前体形式或其药学上可接受的盐。本发明的首选（I）化合物包括吡咯吡啶基、吡咯嘧啶基或吲哚核。本发明的化合物是因子Xa（FXa）、因子VIIa（FVIIa）和/或丝氨酸蛋白酶、尿激酶（uPA）的抑制剂，并可用作哺乳动物的抗凝剂，治疗或预防血栓栓塞性疾病，以及作为抗癌剂。
• Salicylamides as serine protease and factor xa inhibitors
  申请人：——

  公开号：US20030232789A1

  公开（公告）日：2003-12-18

  The present invention provides novel compounds of Formula (I), its prodrug forms, or pharmaceutically acceptable salts thereof. The compounds of this invention are inhibitors of serine proteases, Urokinase (uPA), Factor Xa (FXa), and/or Factor VIIa (FVIIa), and have utility as anti cancer agents and/or as anticoagulants for the treatment or prevention of thromboembolic disorders in mammals. The present invention also provides a process for the selective acylation of an amino group. 1

  本发明提供一种新的化合物Formula (I)，其前药形式或药学上可接受的盐。本发明的化合物是丝氨酸蛋白酶、尿激酶（uPA）、因子Xa（FXa）和/或因子VIIa（FVIIa）的抑制剂，并具有作为抗癌剂和/或抗凝剂在哺乳动物中治疗或预防血栓栓塞性疾病的用途。本发明还提供一种选择性酰化氨基的过程。
• N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them
  申请人：FISONS plc

  公开号：EP0011399A1

  公开（公告）日：1980-05-28

  The substituted theophyllines of the formula: (wherein R', R2 and R3, which may be the same or different, each represent alkyl of 1 to 6 carbon atoms, cycloalkyl of 3 to 7 carbon atoms, phenyl or phenylalkyl of 7 to 10 carbon atoms, each of which may be unsubstituted or substituted by one or more hydroxy groups, alkoxy or alkylthio groups of 1 to 4 carbon atoms, halogen atoms, cyano groups, nitro groups, carboxy groups, alkoxycarbonyl groups of 2 to 5 carbon atoms, amino groups, alkylamino groups of 1 to 4 carbon atoms or dialkylamino groups of 2 to 8 carbon atoms, or when the group is pehnyl or phenylalkyl, by one or more alkyl groups of 1 to 4 carbon atoms; or R2 and R'together represent a hydrocarbon chain of 3 to 6 carbon atoms optionally interrupted by a heteroatom; and n represents an integer from 1 to6) and the acid additional salts thereof, are novel compounds which are useful in the treatment of cardiac disorders. Processes for their preparation and pharmaceutical compositions containing them are also described.

  式中的取代茶碱类： (其中 R'、R2 和 R3（可以相同或不同）各自代表 1 至 6 个碳原子的烷基、3 至 7 个碳原子的环烷基、7 至 10 个碳原子的苯基或苯基烷基，它们各自可以未被取代或被一个或多个羟基、1 至 4 个碳原子的烷氧基或烷硫基取代、卤素原子、氰基、硝基、羧基、2 至 5 个碳原子的烷氧羰基、氨基、1 至 4 个碳原子的烷基氨基或 2 至 8 个碳原子的二烷基氨基，或当基团为正烷基或苯基烷基时，被一个或多个 1 至 4 个碳原子的烷基取代； 或 R2 和 R'共同代表 3 至 6 个碳原子的烃链，可选择被一个杂原子打断；且 n 代表 1 至 6 的整数）及其酸盐是新型化合物，可用于治疗心脏疾病。此外，还描述了制备它们的工艺和含有它们的药物组合物。
• Hager et al., Journal of the American Pharmaceutical Association (1912), 1954, vol. 43, p. 152,154
  作者：Hager et al.

  DOI：——

  日期：——