(2R,3R,4S)-2-(2-chloro-6-(3-fluorobenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol

• 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: (2R,3R,4S)-2-(2-chloro-6-(3-fluorobenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol
• 英文别名: (2R,3R,4S)-2-[2-chloro-6-[(3-fluorophenyl)methylamino]purin-9-yl]thiolane-3,4-diol
• 化学式: C₁₆H₁₅ClFN₅O₂S
• 分子量: 395.845
• InChiKey: YIHCHMWFJKTKDU-IXPVHAAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,6-二氯嘌呤 在 盐酸 、 硫酸氢铵 、 六甲基二硅氮烷 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 15.0h， 生成 (2R,3R,4S)-2-(2-chloro-6-(3-fluorobenzylamino)-9H-purin-9-yl)tetrahydrothiophene-3,4-diol
  参考文献：
  名称：

  A3腺苷受体结合亲和力与截短腺苷衍生物抗肾间质纤维化活性的相关性研究

  摘要：

  截短的 4'-硫代核苷 1-4 和 4'-氧代核苷 5-8 作为有效和选择性的 A3AR 拮抗剂分别由 d-甘露糖和 d-赤藓酸γ-内酯合成。评估了这些核苷在 TGF-β1 处理的小鼠近端肾小管 (mProx) 细胞中的抗纤维化肾脏保护活性。它们对 A3AR 的拮抗活性与它们对 mProx 细胞中 TGF-β1 诱导的胶原 I 上调的抑制活性成正比。该结果表明 A3AR 拮抗剂的结合亲和力与其抗纤维化活性密切相关。因此，A3AR 拮抗剂可能是治疗慢性肾病的新型候选药物。

  DOI：

  10.1007/s12272-018-1079-2

文献信息

• PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING GLAUCOMA, CONTAINING ADENOSINE DERIVATIVE
  申请人：FUTURE MEDICINE CO., LTD.

  公开号：US20200016186A1

  公开（公告）日：2020-01-16

  A pharmaceutical composition for preventing or treating eye diseases and an oral administration agent for preventing or treating eye diseases are provided. The pharmaceutical composition for preventing or treating eye diseases comprises the compound represented by Chemical Formula 1 or a pharmaceutically acceptable salt thereof as an active ingredient.

  提供了一种用于预防或治疗眼病的药物组合物和一种用于预防或治疗眼病的口服给药剂。所述用于预防或治疗眼病的药物组合物包括由化学公式1表示的化合物或其药用可接受盐作为活性成分。
• ADENOSINE DERIVATIVES, METHOD FOR THE SYNTHESIS THEREOF, AND THE PHARMACEUTICAL COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF THE INFLAMMATORY DISEASES CONTAINING THE SAME AS AN ACTIVE INGREDIENT
  申请人：Jeong Lak Shin

  公开号：US20100137577A1

  公开（公告）日：2010-06-03

  Disclosed are adenosine derivatives, methods for the synthesis thereof, and pharmaceutical compositions for the prevention and treatment of inflammatory diseases, comprising the same as an active ingredient. The adenosine derivatives have high binding affinity and selectivity for adenosine receptors, especially for A3 adenosine receptors and act as A3 adenosine receptor antagonists, and exhibit anti-inflammatory activity. Thus, the adenosine derivatives are useful in the prevention and treatment of inflammatory diseases.

  本发明涉及腺苷衍生物、其合成方法和制备药物组合物，其作为活性成分用于预防和治疗炎症性疾病。该腺苷衍生物具有高结合亲和力和选择性，尤其是对A3腺苷受体具有高亲和力和选择性，并且作为A3腺苷受体拮抗剂，具有抗炎活性。因此，该腺苷衍生物在预防和治疗炎症性疾病方面具有用途。
• Adenosine derivatives, method for the synthesis thereof, and the pharmaceutical compositions for the prevention and treatment of the inflammatory diseases containing the same as an active ingredient
  申请人：Jeong Lak Shin

  公开号：US09018371B2

  公开（公告）日：2015-04-28

  Disclosed are adenosine derivatives, methods for the synthesis thereof, and pharmaceutical compositions for the prevention and treatment of inflammatory diseases, comprising the same as an active ingredient. The adenosine derivatives have high binding affinity and selectivity for adenosine receptors, especially for A3 adenosine receptors and act as A3 adenosine receptor antagonists, and exhibit anti-inflammatory activity. Thus, the adenosine derivatives are useful in the prevention and treatment of inflammatory diseases.

  本发明涉及腺苷衍生物及其合成方法，以及包含其作为活性成分的预防和治疗炎症性疾病的药物组合物。该腺苷衍生物具有高结合亲和力和选择性，特别是对A3腺苷受体具有亲和力，并作为A3腺苷受体拮抗剂，表现出抗炎活性。因此，该腺苷衍生物在预防和治疗炎症性疾病方面具有用途。
• PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING NONALCOHOLIC STEATOHEPATITIS, HEPATIC FIBROSIS, AND LIVER CIRRHOSIS, COMPRISING ADENOSINE DERIVATIVES
  申请人：Future Medicine Co., Ltd.

  公开号：EP3533452A1

  公开（公告）日：2019-09-04

  A pharmaceutical composition for preventing or treating liver disease is provided. The pharmaceutical composition comprising a compound represented by formula 1 below or a pharmaceutically acceptable salt of the compound as an active ingredient: where A is S, R is a linear or branched C1-C5 alkyl which is non-substituted or is independently or selectively substituted with one or more C6-C10 aryl groups, a benzyl which is non-substituted or is independently or selectively substituted with halogen or one or more linear or branched C1-C4 alkoxy groups, or a hydroxycarbonyl-substituted benzyl, and Y is H or a halogen atom.

  提供了一种用于预防或治疗肝病的药物组合物。该药物组合物包含下式 1 所代表的化合物或该化合物的药学上可接受的盐作为活性成分： 其中 A 为 S，R 为非取代的或独立或选择性地被一个或多个 C6-C10 芳基取代的直链或支链 C1-C5 烷基，非取代的或独立或选择性地被卤素或一个或多个直链或支链 C1-C4 烷氧基取代的苄基，或羟羰基取代的苄基，Y 为 H 或卤原子。
• PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING DIABETIC NEPHROPATHY INCLUDING ADENOSINE DERIVATIVE
  申请人：Future Medicine Co., Ltd.

  公开号：EP3650029A1

  公开（公告）日：2020-05-13

  A pharmaceutical composition for preventing or treating diabetic nephropathy is provided. According to the present invention, a pharmaceutical composition for preventing or treating diabetic nephropathy comprises an adenosine derivative compound or a pharmaceutically acceptable salt thereof as an active ingredient.

  本发明提供了一种用于预防或治疗糖尿病肾病的药物组合物。根据本发明，一种用于预防或治疗糖尿病肾病的药物组合物包含一种腺苷衍生物化合物或其药学上可接受的盐作为活性成分。