2-methyl-4-oxo-3H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid | 65774-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 2-methyl-4-oxo-3H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
• 英文别名: 2-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid；2-Methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid；2-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid
• CAS: 65774-73-4
• 化学式: C₈H₇N₃O₃
• 分子量: 193.162
• InChiKey: LTXJJCCHNHHUGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-4-oxo-3H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid 在 氯化亚砜 、 1-丙基磷酸酐 、 三乙胺 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成 4-([[2-methyl-7-(methylcarbamoyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]methyl)phenylboronic acid
  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：

  3-氨基-1H-吡咯-2,4-二甲酸2,4-二乙酯 在 盐酸 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 水 、 乙腈 为溶剂， 反应 22.0h， 生成 2-methyl-4-oxo-3H,5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
  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