3-pentyl-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione | 862893-46-7

• 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-pentyl-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione
• 英文别名: 7-allyl-3-pentyl-3,7-dihydro-1H-purine-2,6-dione；3-pentyl-7-prop-2-enylpurine-2,6-dione
• CAS: 862893-46-7
• 化学式: C₁₃H₁₈N₄O₂
• 分子量: 262.312
• InChiKey: WANVHEFRBVFLBI-UHFFFAOYSA-N

物化性质

• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-pentyl-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione 在 四(三苯基膦)钯 吗啉 、 sodium azide 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.0h， 生成 6-pentyl-6,9-dihydro-5H-tetrazolo[5,1-i]purin-5-one
  参考文献：
  名称：

  WO2007/150026

  摘要：

  公开号：
• 作为产物：
  描述：

  7-allyl-1-purine-2,6(3H,7H)-dione 、 1-碘戊烷 在 sodium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 18.0h， 以56%的产率得到3-pentyl-7-(2-propen-1-yl)-3,7-dihydro-1H-purine-2,6-dione
  参考文献：
  名称：

  [EN] MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY
  [FR] COMPOSES

  摘要：

  公开号：

  WO2005077950A3

文献信息

• PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE
  申请人：SHANTON PHARMA CO., LTD.

  公开号：US20170326148A1

  公开（公告）日：2017-11-16

  The present invention relates to the use of a compound of formula (I), a pharmaceutically acceptable salt thereof, a solvate thereof, or a pharmaceutical composition containing the same in reducing uric acid level, preventing or reducing inflammations, and preventing or treating uratic or gouty diseases. In particular, the present invention relates to the use of a compound of formula (I), a pharmaceutically acceptable salt thereof, a solvate thereof, or a pharmaceutical composition containing the same in the manufacture of a medicament for the treatment or prevention of hyperuricemia, gout, gouty inflammations, pain and uric acid nephropathy. R 1 represents hydrogen, C 1-4 alkyl or the like. R 2 represents C 1-10 alkyl or the like. R 3 represents halogen or the like.

  本发明涉及使用化合物(I)的使用，其具有药学上可接受的盐、溶剂或含有该化合物的药物组合物，用于降低尿酸水平，预防或减少炎症，并预防或治疗尿酸性或痛风性疾病。具体而言，本发明涉及使用化合物(I)、其药学上可接受的盐、溶剂或含有该化合物的药物组合物，用于制造用于治疗或预防高尿酸血症、痛风、痛风性炎症、疼痛和尿酸性肾病的药物。R1代表氢、C1-4烷基或类似物。R2代表C1-10烷基或类似物。R3代表卤素或类似物。
• PURINONE DERIVATIVES AS HM74A AGONISTS
  申请人：Xue Chu-Biao

  公开号：US20080045555A1

  公开（公告）日：2008-02-21

  The present invention relates to purinone derivatives which are agonists of the HM74a receptor. Further provided are compositions and methods of using the compounds herein, and their pharmaceutically acceptable salts for the treatment of disease.

  本发明涉及嘌呤酮衍生物，其为HM74a受体的激动剂。此外，本发明还提供了使用本发明中所述化合物及其药学上可接受的盐的组合物和方法，用于治疗疾病。
• Medicaments with hm74a receptor activity
  申请人：Pinto Leo Ivan

  公开号：US20070135456A1

  公开（公告）日：2007-06-14

  The present invention provides therapeutically active compounds which are xanthine derivatives, processes for the manufacture of said derivatives, pharmaceutical formulations containing the active compounds and the use of the compounds in therapy, particularly in the treatment of diseases where under-activation of the HM74A receptor contributes to the disease or where activation of the receptor will be beneficial, having the formula (II): wherein R 1 is selected from: hydrogen and C 1-4 alkyl which may be optionally substituted with one or more groups selected from CN and CF 3 , R 2 is selected from: C 2-10 unsubstituted alkyl, C 1-10 alkyl substituted with one or more groups selected from fluorine and CN, C 5 alkenyl, unbranched C 4 alkenyl, and C 1-4 alkyl substituted with cycloalkyl, and R 3 is selected from halogen and CN.

  本发明提供了治疗活性化合物，其为黄嘌呤衍生物，制备该衍生物的方法，含有活性化合物的药物制剂以及化合物在治疗中的用途，特别是在HM74A受体欠活化导致疾病或激活受体将有益的疾病治疗中，其具有以下式子（II）：其中，R1选自：氢和C1-4烷基，其可以选择性地被一个或多个CN和CF3基团取代，R2选自：C2-10未取代烷基，C1-10烷基，其被一个或多个氟和CN基团取代，C5烯基，直链C4烯基和被环烷基取代的C1-4烷基，R3选自卤素和CN。
• NOVEL COMPOUNDS
  申请人：Pinto Ivan Leo

  公开号：US20100010021A1

  公开（公告）日：2010-01-14

  The present invention relates to therapeutically active xanthine derivative compounds of Formula (I): corresponding processes for manufacture of said derivatives, pharmaceutical formulations containing and uses of such compounds in therapy, particularly in treatment of diseases where under-activation of the HM74A receptor contributes to the disease or where activation of the receptor will be beneficial.

  本发明涉及公式（I）的治疗活性黄嘌呤衍生物化合物，相应的制备该衍生物的过程，含有该化合物的药物制剂以及该化合物在治疗中的用途，特别是在治疗HM74A受体低活化导致疾病或激活该受体将有益的疾病治疗中的应用。
• Purinone derivatives as HM74A agonists
  申请人：Incyte Corporation

  公开号：US07863285B2

  公开（公告）日：2011-01-04

  The present invention relates to purinone derivatives which are agonists of the HM74a receptor. Further provided are compositions and methods of using the compounds herein, and their pharmaceutically acceptable salts for the treatment of disease.

  本发明涉及嘌呤酮衍生物，其是HM74a受体的激动剂。此外，还提供了使用本发明化合物及其药学上可接受的盐的组合物和方法，用于治疗疾病。