Derenofylline | 251945-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: Derenofylline
• 英文别名: 4-[(2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
• CAS: 251945-92-3
• 化学式: C₁₈H₂₀N₄O
• 分子量: 308.4
• InChiKey: RBZNJGHIKXAKQE-UHFFFAOYSA-N

物化性质

• 沸点：
  532.3±60.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)
• 溶解度：
  在 DMSO 中溶解度为 100 mM，在乙醇中溶解度为 50 mM

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为产物：
  描述：

  4-chloro-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine;hydrochloride 、 4-氨基环己醇 在 4-氨基环己醇 作用下， 生成 Derenofylline
  参考文献：
  名称：

  [EN] PYRROLO[2,3d]PYRIMIDINE COMPOSITIONS AND THEIR USE
  [FR] COMPOSITIONS DE PYRROLO[2,3d]PYRIMIDINE ET UTILISATION

  摘要：

  （中文）本发明涉及新型脱氮嘌呤，可用于治疗腺苷受体刺激性疾病。

  公开号：

  WO1999062518A1

文献信息

• Compounds specific to adenosine A1 receptors and uses thereof
  申请人：Castelhano L. Arlindo

  公开号：US20080070936A1

  公开（公告）日：2008-03-20

  This invention pertains to compounds which specifically inhibit the adenosine A 1 receptor and the use of these compounds to treat a disease associated with A 1 adenosine receptors in a subject.

  本发明涉及特异性抑制腺苷A1受体的化合物，并使用这些化合物治疗与A1腺苷受体在受体中相关的疾病。
• Pyrrolo[2,3d]pyrimidine compositions and their use
  申请人：Castelhano Arlindo L.

  公开号：US20090082369A1

  公开（公告）日：2009-03-26

  This invention pertains to compounds having the structure: wherein R 1 and R 2 together form a substituted or unsubstituted heterocyclic ring; R 3 is a substituted or unsubstituted aryl moiety; R 4 is a hydrogen atom, an unsubstituted alkyl, or a substituted or unsubstituted aryl moiety; and R 5 and R 6 are each independently a halogen atom, a hydrogen atom or a substituted or unsubstituted alkyl, aryl, or alkylaryl moiety, or a pharmaceutically acceptable salt thereof, and the use of these compounds to treat a disease associated with increased levels of adenosine in a subject.

  本发明涉及具有以下结构的化合物：其中R1和R2共同形成取代或未取代的杂环；R3是取代或未取代的芳基基团；R4是氢原子，未取代的烷基或取代或未取代的芳基基团；R5和R6分别独立地是卤素原子，氢原子或取代或未取代的烷基、芳基或烷基芳基基团，或其药学上可接受的盐，并使用这些化合物治疗与受试者中腺苷水平增加相关的疾病。
• 2-ARYL pyrrologpyrimidines for A1 and A3 receptors
  申请人：Castelhano Arlindo L.

  公开号：US20090192177A1

  公开（公告）日：2009-07-30

  This invention pertains to compounds which specifically inhibit the adenosine A 1 and A 3 receptors and the use of these compounds to treat a disease associated with A 3 adenosine receptor in a subject, comprising administering to the subject a therapeutically effective amount of the compounds.

  本发明涉及特异性抑制腺苷A1和A3受体的化合物，以及使用这些化合物治疗与A3腺苷受体相关的疾病的方法，包括向患者施用治疗有效量的化合物。
• Pyrrolo[2,3d]Pyrimidine compositions and their use
  申请人：OSI Pharmaceuticals, Inc.

  公开号：EP2011499A2

  公开（公告）日：2009-01-07

  Novel deazapurines are disclosed which are useful for the treatment of adenosine receptor stimulated diseases.

  本研究公开了可用于治疗腺苷受体刺激性疾病的新型去氮嘌呤类药物。
• Method for improving learning
  申请人：St. Jude Children's Research Hospital, Inc.

  公开号：US10696972B2

  公开（公告）日：2020-06-30

  The invention is directed to a method for improving learning and/or memory (e.g., auditory, visual, somatosensory or motor) in adults and children of an age which is beyond the early critical period for learning, said method comprising inhibiting (i) ecto-5′-nucleotidase (Nt5e, aka CD73) or (ii) A1 adenosine receptor (A1R, aka Adora1) expression or function in the brain. The invention is also directed to a method for treating learning and memory defects and neurological diseases associated with an abnormal auditory, visual, or somatosensory perception by inhibiting Nt5e or A1R expression or function in the brain.

  本发明涉及一种改善成人和儿童学习和/或记忆（如听觉、视觉、体感或运动）的方法，其年龄超过了学习的早期关键期，所述方法包括抑制(i)外-5′-核苷酸酶（Nt5e，又名CD73）或(ii)A1腺苷受体（A1R，又名Adora1）在大脑中的表达或功能。本发明还涉及一种通过抑制大脑中Nt5e或A1R的表达或功能来治疗与听觉、视觉或躯体感觉异常相关的学习和记忆缺陷以及神经系统疾病的方法。