[Dibromo-[[[5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: [Dibromo-[[[5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphonic acid
• 化学式: C₁₅H₂₄Br₂N₅O₁₂P₃
• 分子量: 719.11
• InChiKey: ILXFKEOLRYLPJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.7
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  247
• 氢给体数：
  6
• 氢受体数：
  16

文献信息

• INHIBITORS OF ENPP1 AND METHODS OF USING SAME
  申请人：The Regents of the University of California

  公开号：US20190201423A1

  公开（公告）日：2019-07-04

  Disclosed herein are methods for inhibiting ectopic calcification in soft tissues, such as heart tissue. Also provided herein are ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) inhibitors.
• COMPOSITIONS AND METHODS FOR TREATING OCULAR CONDITIONS
  申请人：The Regents of the University of California

  公开号：US20220079899A1

  公开（公告）日：2022-03-17

  Disclosed herein are methods for treating an ocular pathology in a subject, comprising administering to the subject an ENPP1 inhibitor. Also disclosed are methods of inhibiting ATP hydrolysis in ocular tissue, the method comprising contacting the ocular tissue with an ENPP1 inhibitor. Also provided herein are ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) inhibitors and compositions comprising the same.