(3aR,4R,6aS)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl acetate | 1055283-31-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3aR,4R,6aS)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl acetate
• 英文别名: [(3aR,4R,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl] acetate
• CAS: 1055283-31-2
• 化学式: C₉H₁₄O₄S
• 分子量: 218.274
• InChiKey: BCTJSQNYHKAOSK-BWZBUEFSSA-N

物化性质

• 沸点：
  292.9±40.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  70.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3aR,4R,6aS)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl acetate 、 2,6-二氯嘌呤 在 ammonium sulfate 、 六甲基二硅氮烷 、 三氟甲磺酸三甲基硅酯 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 3.5h， 以79%的产率得到2,6-dichloro-9-((3aR,4R,6aS)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl)-9H-purine
  参考文献：
  名称：

  PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING GLAUCOMA, CONTAINING ADENOSINE DERIVATIVE

  摘要：

  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。

  公开号：

  US20200016186A1
• 作为产物：
  描述：

  (3aR,4S,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxole 在 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 反应 2.0h， 生成 (3aR,4R,6aS)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl acetate
  参考文献：
  名称：

  Discovery of a New Nucleoside Template for Human A₃ Adenosine Receptor Ligands:  d-4‘-Thioadenosine Derivatives without 4‘-Hydroxymethyl Group as Highly Potent and Selective Antagonists

  摘要：

  Truncated D-4'-thioadenosine derivatives lacking the 4'-hydroxymethylene moiety were synthesized starting from D-mannose, using cyclization to the 4-thiosugar and one-step conversion of the diol to the acetate as key steps. At the human A(3) adenosine receptor (AR), N(6)-substituted purine analogues bound potently and selectively and acted as antagonists in a cyclic AMP functional assay. An N(6)-(3-chlorobenzyl)purine analogue 9b displayed a K(i) value of 1.66 nM at the human A(3) AR. Thus, truncated D-4'-thioadenosine is an excellent template for the design of novel A(3) AR antagonists to act at both human and murine species.

  DOI：

  10.1021/jm070259t

文献信息

• 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 glaucoma, containing adenosine derivative
  申请人：FUTURE MEDICINE CO., LTD.

  公开号：US11185556B2

  公开（公告）日：2021-11-30

  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.

  提供一种用于预防或治疗眼疾的药用组合物和一种用于预防或治疗眼疾的口服给药剂。用于预防或治疗眼疾的药用组合物包含化学式1所代表的化合物或其药学上可接受的盐作为活性成分。
• EP3533452
  申请人：——

  公开号：——

  公开（公告）日：——