N-2-(1.3.46.7-Pentachlor-fluorenyl)-acetamid | 739-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: N-2-(1.3.46.7-Pentachlor-fluorenyl)-acetamid
• 英文别名: Acetamide,3,4,6,7-pentachlorofluoren-2-yl)-；N-(1,3,4,6,7-pentachloro-9H-fluoren-2-yl)acetamide
• CAS: 739-55-9
• 化学式: C₁₅H₈Cl₅NO
• 分子量: 395.5
• InChiKey: GSTVXDLNIDKMMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

文献信息

• [EN] CRYSTAL STRUCTURES OF O-GLCNAC TRANSFERASE AND USES THEREOF<br/>[FR] STRUCTURES CRISTALLINES DE LA O-GLCNAC TRANSFÉRASE ET UTILISATIONS ASSOCIÉES
  申请人：HARVARD COLLEGE

  公开号：WO2012037150A1

  公开（公告）日：2012-03-22

  The three-dimensional structure of human O-GlcNAc transferase (hOGT) protein is provided. This crystallographic information is useful in the identification and design of compounds that bind to OGT and that may modulate the activity of OGT. Such compounds may be useful for the treatment of diabetes and complications thereof, cancers, neurodegenerative diseases, autoimmune diseases, and inflammatory diseases. The present invention also provides methods for designing, identifying, and/or screening compounds that may be useful in treating disorders associated with hyper- O-GlcNAcylation.