N-[2-(3-amino-2,4-dioxopyrimidin-1-yl)ethyl]-4-(4,6,8,8-tetramethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl)butanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: N-[2-(3-amino-2,4-dioxopyrimidin-1-yl)ethyl]-4-(4,6,8,8-tetramethyl-2-oxo-6,7-dihydropyrano[3,2-g]quinolin-9-yl)butanamide
• 化学式: C₂₆H₃₃N₅O₅
• 分子量: 495.6
• InChiKey: HLOOEAOWQCQGLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] METHOD TO SCREEN FOR THE TERATOGENIC POTENTIAL OF SUBSTANCES<br/>[FR] PROCÉDÉ POUR DÉPISTER LE POTENTIEL TÉRATOGÈNE DE SUBSTANCES
  申请人：MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V

  公开号：WO2014111456A1

  公开（公告）日：2014-07-24

  The present invention relates to co-crystal forms of a bacterial cereblon homologue together with thalidomide, crystal structure information obtained from them, methods of preparing such co-crystal forms. The invention refers further to an in vitro method to analyze the teratogenic potential of substances, preferably pharmaceutically active substances, via their binding to the protein cereblon, a cellular target of thalidomide, and refers to the substrate 1-(N-2-MANT-imidoethyl)-uracil as well as a mutant bacterial cereblon homologue from Magnetospirillumgryphiswaldense both specifically designed for carrying out the inventive method.