(2S,3S,4R,5R)-5-(2,4-二氧代嘧啶-1-基)-3,4-二羟基四氢呋喃-2-甲酰胺 | 54918-02-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (2S,3S,4R,5R)-5-(2,4-二氧代嘧啶-1-基)-3,4-二羟基四氢呋喃-2-甲酰胺
• 英文名称: 1-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-β-D-1-deoxy-ribofuranuronic acid amide
• 英文别名: 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide；(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolane-2-carboxamide
• CAS: 54918-02-4
• 化学式: C₉H₁₁N₃O₆
• 分子量: 257.203
• InChiKey: KRMPSSVTJAZMOA-SKHQTKALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Ectonucleotidase inhibitors
  申请人：Rheinische Friedrich-Wilhelms-Universität Bonn

  公开号：EP1860113A1

  公开（公告）日：2007-11-28

  Present invention provides ectonucleotidase (ecto-nucleotide triphosphate diphosphohydrolase, NTPDase) inhibitors represented by the following formula, namely nucleotide mimetics as selective NTPDase inhibitors. It also provides methods for preparations of said compounds. Furthermore provided are pharmaceutical and diagnostic compositions comprising said compounds, and the use of said compounds in a medicament for treating diseases associated with ectonucleotidase activity and/or P2 receptors.

  本发明提供了以下公式所代表的细胞核苷酸酶（细胞外核苷酸三磷酸二磷酸水解酶，NTPDase）抑制剂，即作为选择性NTPDase抑制剂的核苷酸类似物。还提供了制备上述化合物的方法。此外，还提供了包含上述化合物的药用和诊断组合物，以及将上述化合物用作治疗与细胞核苷酸酶活性和/或P2受体相关的疾病的药物的用途。
• ECTONUCLEOTIDASE INHIBITORS
  申请人：Rheinische Friedrich-Wilhelms-Universität Bonn

  公开号：EP2019834B1

  公开（公告）日：2014-07-09
• [EN] ECTONUCLEOTIDASE INHIBITORS<br/>[FR] INHIBITEURS D'ECTONUCLÉOTIDASES
  申请人：UNIV BONN

  公开号：WO2007135195A1

  公开（公告）日：2007-11-29

  [EN] The present invention provides ectonucleotidase inhibitors represented by the following formula, including ecto-nucleotide triphosphate diphosphohydrolase (NTPDase) inhibitors and ecto-5'-nucleotidase (ecto-5'-NT) inhibitors, namely nucleotide mimetics as selective NTPDase or ecto-5'-NT inhibitors. It also provides methods for preparations of said compounds. Furthermore provided are pharmaceutical and diagnostic compositions comprising said compounds, and the use of said compounds in a medicament for treating diseases associated with ectonucleotidase activity and/or P1 or P2 receptors.
  [FR] La présente invention concerne des inhibiteurs d'ectonucléotidases représentés par la formule suivante, dont des inhibiteurs d'ecto-nucléotide triphosphate diphosphohydrolases (NTPDases) et des inhibiteurs d'ecto-5'-nucléotidases (ecto-5'-NT), à savoir des mimétiques de nucléotides servant d'inhibiteurs de NTPDases ou d'ecto-5'-NT sélectifs. L'invention concerne également des procédés servant à préparer lesdits composés. L'invention concerne en outre des compositions pharmaceutiques et de diagnostic comprenant lesdits composés et l'utilisation desdits composés dans un médicament servant à traiter des maladies associées à l'activité des ectonucléotidases et/ou aux récepteurs P1 ou P2.