5-isopropyl-1H,6H-pyrazolo[4,3-d]pyrimidin-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 5-isopropyl-1H,6H-pyrazolo[4,3-d]pyrimidin-7-one
• 英文别名: 5-Propan-2-yl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one；5-propan-2-yl-1,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
• 化学式: C₈H₁₀N₄O
• 分子量: 178.194
• InChiKey: FLNFBGREJFFWNY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  70.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-isopropyl-1H,6H-pyrazolo[4,3-d]pyrimidin-7-one 在 氯化亚砜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以45 %的产率得到7-chloro-5-isopropyl-1H-pyrazolo[4,3-d]pyrimidine
  参考文献：
  名称：

  [EN] BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS
  [FR] DÉRIVÉS DE BORONATE HÉTÉROARYLE BICYCLIQUES UTILISÉS COMME INHIBITEURS DE L'ECTO-NUCLÉOTIDE PYROPHOSPHATASE/PHOSPHODIESTÉRASE 1

  摘要：

  The present disclosure provides certain bicyclic heteroaryl boronate compounds that inhibit ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) enzymatic activity and are therefore useful for the treatment of diseases and conditions modulated at least in part by ENPP1. In some embodiments, the bicyclic heteroaryl compounds includes those of Formula (I). Also provided herein are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公开号：

  WO2022197734A1
• 作为产物：
  描述：

  1-benzyl-5-isopropyl-6H-pyrazolo[4,3-d]pyrimidin-7-one 在 盐酸 、 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 以51 %的产率得到5-isopropyl-1H,6H-pyrazolo[4,3-d]pyrimidin-7-one
  参考文献：
  名称：

  [EN] BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS
  [FR] DÉRIVÉS DE BORONATE HÉTÉROARYLE BICYCLIQUES UTILISÉS COMME INHIBITEURS DE L'ECTO-NUCLÉOTIDE PYROPHOSPHATASE/PHOSPHODIESTÉRASE 1

  摘要：

  The present disclosure provides certain bicyclic heteroaryl boronate compounds that inhibit ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP1) enzymatic activity and are therefore useful for the treatment of diseases and conditions modulated at least in part by ENPP1. In some embodiments, the bicyclic heteroaryl compounds includes those of Formula (I). Also provided herein are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公开号：

  WO2022197734A1