1-乙基-3-异丁基-3,7-二氢-嘌呤-2,6-二酮 | 96654-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 1-乙基-3-异丁基-3,7-二氢-嘌呤-2,6-二酮
• 英文名称: 1-ethyl-3-isobutylxanthine
• 英文别名: 1-Ethyl-3-isobutyl-1H-purine-2,6(3H,7H)-dione；1-ethyl-3-(2-methylpropyl)-7H-purine-2,6-dione
• CAS: 96654-24-9
• 化学式: C₁₁H₁₆N₄O₂
• 分子量: 236.274
• InChiKey: RTMKNPYNLRYIDB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-乙基-3-异丁基-3,7-二氢-嘌呤-2,6-二酮 在 溴 、 sodium acetate 、 potassium carbonate 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 7-Benzyl-8-bromo-1-ethyl-3-isobutyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Design and synthesis of xanthine analogues as potent and selective PDE5 inhibitors

  摘要：

  We have discovered potent and selective xanthine PDE5 inhibitors. Compound 25 (PDE5 IC50 = 0.6 nM, PDE6/PDE5 = 101) demonstrated similar functional efficacy and PK profile to Sildenafil (PDE5 IC50 = 3.5 nM, PDE6/PDE5 = 7). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00646-7
• 作为产物：
  描述：

  7-Benzyl-1-ethyl-3-isobutyl-3,7-dihydro-purine-2,6-dione 在 palladium dihydroxide 作用下， 以 甲醇 为溶剂， 生成 1-乙基-3-异丁基-3,7-二氢-嘌呤-2,6-二酮
  参考文献：
  名称：

  Design and synthesis of xanthine analogues as potent and selective PDE5 inhibitors

  摘要：

  We have discovered potent and selective xanthine PDE5 inhibitors. Compound 25 (PDE5 IC50 = 0.6 nM, PDE6/PDE5 = 101) demonstrated similar functional efficacy and PK profile to Sildenafil (PDE5 IC50 = 3.5 nM, PDE6/PDE5 = 7). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00646-7

文献信息

• [EN] COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY<br/>[FR] COMPOSÉS POUR LE TRAITEMENT DE LA DYSTROPHIE MYOTONIQUE
  申请人：UNI DE VALÈNCIA

  公开号：WO2016075285A1

  公开（公告）日：2016-05-19

  The present invention relates to a compound of formula (I), provided that this compound is not caffeine, for use in the treatment of myotonic dystrophy type 1 and type 2. The present invention also relates to compositions comprising the compound of formula (I). The present invention further relates to new compounds which are dimers of compounds of formula (I).

  本发明涉及一种式（I）的化合物，前提是该化合物不是咖啡因，用于治疗肌张力性疾病类型1和类型2。本发明还涉及包含该式（I）化合物的组合物。本发明还涉及新的化合物，这些化合物是式（I）化合物的二聚体。
• Compounds for the treatment of myotonic dystrophy
  申请人：Universitat de Valéncia

  公开号：EP3020403A1

  公开（公告）日：2016-05-18

  The present invention relates to a compound of formula (I), provided that this compound is not caffeine, for use in the treatment of myotonic dystrophy type 1 and type 2. The present invention also relates to compositions comprising the compound of formula (I) as defined herein. The present invention further relates to new compounds which are dimers of compounds of formula (I).

  本发明涉及一种式（I）化合物，条件是该化合物不是咖啡因，用于治疗肌营养不良 1 型和 2 型。本发明还涉及包含本文定义的式 (I) 化合物的组合物。本发明还涉及作为式（I）化合物二聚体的新化合物。
• Caffeine for the treatment of myotonic dystrophy type 1 and type 2
  申请人：Universitat de Valéncia

  公开号：EP3020404A1

  公开（公告）日：2016-05-18

  The present invention relates to caffeine for use in the treatment of myotonic dystrophy type 1 and type 2. The present invention also relates to compositions comprising caffeine for use in the treatment of myotonic dystrophy type 1 and type 2.

  本发明涉及用于治疗 1 型和 2 型肌营养不良症的咖啡因。本发明还涉及用于治疗 1 型和 2 型肌营养不良症的包含咖啡因的组合物。
• Materials and methods for binding nucleic acids to surfaces
  申请人：——

  公开号：US20020103350A1

  公开（公告）日：2002-08-01

  Surfaces containing high purity silica (silicon dioxide) exhibit high loading potential for nucleic acids. Formulations containing nucleic acids and materials which mask the electrostatic interactions between the nucleic acids and surfaces are disclosed. By masking the phosphate charges of the nucleic acids, undesired interactions may be minimized or eliminated, thereby allowing the covalent bonding of the nucleic acids to the surface to proceed. The use of such formulations additionally minimizes nonspecific binding of the nucleic acids to the surface. Examples of materials to be included in such formulations include cations, xanthines, hexoses, purines, arginine, lysine, polyarginine, polylysine, and quaternary ammonium salts.

  含有高纯度二氧化硅的表面具有很高的核酸负载潜力。 本研究公开了含有核酸的制剂和可掩盖核酸与表面之间静电相互作用的材料。通过掩盖核酸的磷酸电荷，可以最大限度地减少或消除不希望发生的相互作用，从而使核酸与表面的共价键结合得以进行。此外，使用此类制剂还能最大程度地减少核酸与表面的非特异性结合。可包括在此类制剂中的材料包括阳离子、黄嘌呤、己糖、嘌呤、精氨酸、赖氨酸、多精氨酸、多赖氨酸和季铵盐。
• PROCESS FOR THE TREATMENT OF ERECTILE DYSFUNCTION AND PRODUCT THEREFOR
  申请人：——

  公开号：US20020147199A1

  公开（公告）日：2002-10-10

  The invention relates to the use of pyrido[3,2-e]-pyrazinones of formula 1 as inhibitors of phosphodiesterase 5 for the treatment of erectile dysfunction (impotence).

  本发明涉及将式 1 的吡啶[3,2-e]-吡嗪酮作为磷酸二酯酶 5 的抑制剂用于治疗勃起功能障碍（阳痿）。