6-Isopropyl-2-(methylthio)pyrimidin-4-ol

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-Isopropyl-2-(methylthio)pyrimidin-4-ol
• 英文别名: 2-methylsulfanyl-4-propan-2-yl-1H-pyrimidin-6-one
• 化学式: C₈H₁₂N₂OS
• mdl: MFCD19705988
• 分子量: 184.262
• InChiKey: WSBGKEVVRHNGOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-氨基水杨酸 、 6-Isopropyl-2-(methylthio)pyrimidin-4-ol 在 吡啶 作用下， 反应 8.0h， 生成 2-Hydroxy-5-{[6-oxo-4-(propan-2-yl)-1,6-dihydropyrimidin-2-yl]amino}benzoic acid
  参考文献：
  名称：

  Design, synthesis and biological evaluation of 2-aminopyrimidinones and their 6-aza-analogs as a new class of CK2 inhibitors

  摘要：

  In order to find the new potent CK2 inhibitors the 60 derivatives of 2-aminopyrimidinone and their 6-aza-substituted analogs were synthesized and tested in vitro. Among them, the most efficient inhibitor 2-hydroxy-5-[4-(4-methoxyphehyl)-6-oxo-1,6-dihydropyrimidin-2-ylamino] benzoic acid was identified (IC50 = 1.1 mu M). The structure-activity relationship study of newly synthesized derivatives was carried out and their binding mode with adenosine triphosphate-acceptor site of CK2 was proposed.

  DOI：

  10.3109/14756366.2013.837898

文献信息

• Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament
  申请人：Biofrontera Pharmaceuticals AG

  公开号：EP1321169A1

  公开（公告）日：2003-06-25

  The present invention relates to the use of (S)-α-fluoromethylhistidine and esters and pharmaceutically acceptable salts thereof in combination with a serotonin receptor antagonist or a pharmaceutically acceptable salt thereof as a medicament and for the manufacture of a medicament for treatment of a disease state which can be alleviated by treatment with a serotonin receptor antagonist and/or a histamine receptor antagonist.

  本发明涉及使用(S)-α-氟甲基组氨酸及其酯和药学上可接受的盐与5-羟色胺受体拮抗剂或其药学上可接受的盐结合作为药物，并用于制造一种治疗可通过使用5-羟色胺受体拮抗剂和/或组胺受体拮抗剂进行缓解的疾病状态的药物。
• [EN] ARYL PYRIMIDINE DERIVATIVES<br/>[FR] DERIVES D'ARYL PYRIMIDINE
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：WO1997044326A1

  公开（公告）日：1997-11-27

  (EN) The present invention is directed to pyrimidine derivatives, and pharmaceutically acceptable salts and $i(N)-oxides thereof, which exhibit useful pharmacological properties, in particular use as selective 5HT2B-antagonists, their preparation, pharmaceutical compositions comprising them and their use in the treatment of various diseases, especially migraine. The invention is also directed to formulations and methods for treatment.(FR) Cette invention a trait à des dérivés d'aryl pyrimidine ainsi qu'à leurs sels et à leurs $i(N)-oxydes, acceptables d'un point de vue pharmaceutique. Ces substances, qui font montre d'utiles propriétés pharmacologiques, sont notamment efficaces comme antagonistes sélectifs de 5HT2B. L'invention a également trait à la préparation de ces substances, à des compositions pharmaceutiques les contenant, ainsi qu'à leur utilisation dans le traitement de troubles divers, de la migraine notamment. Elle concerne, de surcroît, des formulations et des méthodes thérapeutiques.

  本发明涉及嘧啶衍生物及其药学上可接受的盐和$i(N)$-氧化物，具有有用的药理学特性，特别是作为选择性5HT2B拮抗剂的用途，其制备，包含它们的制药组合物以及它们在治疗各种疾病，尤其是偏头痛方面的用途。本发明还涉及治疗方法和制剂。
• ARYL PYRIMIDINE DERIVATIVES
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0901474B1

  公开（公告）日：2006-04-19
• US5863924A
  申请人：——

  公开号：US5863924A

  公开（公告）日：1999-01-26
• US5952331A
  申请人：——

  公开号：US5952331A

  公开（公告）日：1999-09-14