5-{3-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione | 6076-54-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-{3-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
• 英文别名: 5-[[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 6076-54-6
• 化学式: C₂₃H₂₄N₂O₄S
• mdl: MFCD02017716
• 分子量: 424.5
• InChiKey: UYJGVLAOMHVDAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen
  申请人：Kahne Walker Suzanne

  公开号：US20050142629A1

  公开（公告）日：2005-06-30

  A method is described for identifying a compound that modulates the ability of a glycosyltransferase to bind a substrate comprising combining a glycosyltransferase, a labeled substrate, and a compound, in a reaction vessel, under conditions known to be suitable for the glycosyltransferase to bind the labeled substrate, measuring an amount of labeled substrate bound to the glycosyltransferase, and comparing the amount to a standardized amount to identify a relative increase or decrease in substrate bound glycosyltransferase, thereby identifying a compound that modulates the ability of the glycosyltransferase to bind the substrate. A composition comprising an effective amount of a compound of Formula I (the substituents of which are described herein), or a stereoisomer, or pharmaceutically acceptable salt thereof, that inhibits the ability of a glycosyltransferase to bind a substrate, in a pharmaceutically acceptable carrier is provided
• US7344850B2
  申请人：——

  公开号：US7344850B2

  公开（公告）日：2008-03-18