8-chloro-7-(2-propen-1-yl)-3-(4,4,4-trifluorobutyl)-3,7-dihydro-1H-purine-2,6-dione | 862893-36-5

• 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: 8-chloro-7-(2-propen-1-yl)-3-(4,4,4-trifluorobutyl)-3,7-dihydro-1H-purine-2,6-dione
• 英文别名: 8-chloro-7-prop-2-enyl-3-(4,4,4-trifluorobutyl)purine-2,6-dione
• CAS: 862893-36-5
• 化学式: C₁₂H₁₂ClF₃N₄O₂
• 分子量: 336.701
• InChiKey: ZXVBJNLBSNPDQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  8-chloro-7-(2-propen-1-yl)-3-(4,4,4-trifluorobutyl)-3,7-dihydro-1H-purine-2,6-dione 在 四(三苯基膦)钯 吗啉 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以14.9%的产率得到8-chloro-3-(4,4,4-trifluorobutyl)-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
• 作为产物：
  描述：

  7-allyl-8-chloro-1H-purine-2,6-dione 、 1-溴-4,4,4-三氟丁烷 在 sodium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 168.0h， 以57%的产率得到8-chloro-7-(2-propen-1-yl)-3-(4,4,4-trifluorobutyl)-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

• 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。
• Compounds
  申请人：Glaxosmithkline LLC

  公开号：US08268839B2

  公开（公告）日：2012-09-18

  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，制造该衍生物的相应过程，含有该化合物的制药配方以及在治疗中使用这种化合物的用途，特别是在治疗下述疾病时：HM74A受体的低活化对疾病有贡献或者激活该受体将是有益的情况。
• XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS
  申请人：Hatley Richard Jonathan Daniel

  公开号：US20100168122A1

  公开（公告）日：2010-07-01

  The present invention relates to compounds of formula (I) which are xanthine derivatives, processes for manufacture of said derivatives, pharmaceutical formulations containing these compounds and the use of the compounds in therapy, for example, 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

  本发明涉及公式（I）的化合物，它们是黄嘌呤衍生物，制备这些衍生物的过程，含有这些化合物的药物配方以及在治疗中使用这些化合物，例如，在疾病治疗中，HM74A受体的欠活化对疾病有贡献或激活受体将有益的情况下。
• Xanthine derivatives as selective HM74A agonists
  申请人：GlaxoSmithKline LLC

  公开号：US08143264B2

  公开（公告）日：2012-03-27

  The present invention relates to a xanthine compound derivative which is 3-butyl-8-chloro-1-(3-5-[(4-fluorophenyl)methyl]-2H-tetrazol-2-yl}propyl)-3,7-dihydro-1H-purine-2,6-dione: a pharmaceutically acceptable salt thereof, corresponding pharmaceutical formulations, combinations, preparation methods and methods or uses in treatment of diseases where under-activation of the HM74A receptor contributes to the disease or where activation of the receptor will be beneficial.

  本发明涉及一种黄嘌呤化合物衍生物，即3-丁基-8-氯-1-(3-5-[(4-氟苯基)甲基]-2H-四唑-2-基}丙基)-3,7-二氢-1H-嘌呤-2,6-二酮；其药学上可接受的盐，相应的制药配方、组合、制备方法以及在治疗HM74A受体欠活或激活受体有益的疾病中的使用方法。