1-(3-hydroxypiperidin-1-yl)-2-phenyl-2-(4-thioxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)ethan-1-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-hydroxypiperidin-1-yl)-2-phenyl-2-(4-thioxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)ethan-1-one
• 英文别名: 1-(3-Hydroxy-piperidin-1-yl)-2-phenyl-2-(4-thioxo-1,4-dihydro-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-ethanone；1-(3-hydroxypiperidin-1-yl)-2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone
• 化学式: C₁₈H₁₉N₅O₂S
• 分子量: 369.447
• InChiKey: SJQYHPYPZRERMF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  26
• 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：
  117
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 2-phenyl-2-(4-thioxo-1,4-dihydro-5H-pyrazolo[3,4-d]-pyrimidin-5-yl)acetate 在 水 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.5h， 生成 1-(3-hydroxypiperidin-1-yl)-2-phenyl-2-(4-thioxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)ethan-1-one
  参考文献：
  名称：

  Functionalized Allopurinols Targeting Amyloid-Binding Alcohol Dehydrogenase Rescue Aβ-Induced Mitochondrial Dysfunction

  摘要：

  DOI：

  10.1021/acschemneuro.2c00246

文献信息

• Pyrazole compounds, pharmaceutical compositions, and methods for modulating or inhibiting ERAB or HADH2 activity
  申请人：——

  公开号：US20020065292A1

  公开（公告）日：2002-05-30

  Pyrazole compounds represented by the formula: 1 are described. The pyrazole compounds and pharmaceutical compositions containing them may be used in inhibiting ERAB or HADH2 activity and in treating ERAB, HADH2 or amyloid-&bgr; mediated diseases and conditions.

  由下式表示的吡唑化合物：1。这些吡唑化合物和含有它们的药物组合物可用于抑制ERAB或HADH2活性，并用于治疗ERAB、HADH2或淀粉样蛋白β介导的疾病和症状。
• PYRAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR MODULATING OR INHIBITING ERAB OR HADH2 ACTIVITY
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：EP1311511A1

  公开（公告）日：2003-05-21
• US6964957B2
  申请人：——

  公开号：US6964957B2

  公开（公告）日：2005-11-15
• [EN] PYRAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR MODULATING OR INHIBITING ERAB OR HADH2 ACTIVITY<br/>[FR] COMPOSÉS DE PYRAZOLE, COMPOSITIONS PHARMACEUTIQUES, ET PROCÉDÉS DE MODULATION OU D'INHIBITION DE L'ACTIVITÉ ERAB OU HADH2
  申请人：AGOURON PHARMA

  公开号：WO2002016365A1

  公开（公告）日：2002-02-28

  Pyrazole compounds represented by the formula (I), are described. The pyrazole compounds and pharmaceutical compositions containing them may be used in inhibiting ERAB or HADH2 activity and in treating ERAB, HADH2 or amyloid-β mediated diseases and conditions.
• Functionalized Allopurinols Targeting Amyloid-Binding Alcohol Dehydrogenase Rescue Aβ-Induced Mitochondrial Dysfunction
  作者：Ahmed Morsy、Krishnaiah Maddeboina、Ju Gao、Hezhen Wang、Juan Valdez、Louise F. Dow、Xinglong Wang、Paul C. Trippier

  DOI：10.1021/acschemneuro.2c00246

  日期：2022.7.20