2,2-dioxo-5-[[(2S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,12-tetraoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1H-2lambda6,1,3-benzothiadiazin-4-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻二嗪
• 英文名称: 2,2-dioxo-5-[[(2S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,12-tetraoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1H-2lambda6,1,3-benzothiadiazin-4-amine
• 英文别名: 2,2-dioxo-5-[[(2S,6R,9S)-4,4,11,11-tetramethyl-3,5,7,12-tetraoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-1H-2λ6,1,3-benzothiadiazin-4-amine
• 化学式: C₂₀H₂₇N₃O₇S
• 分子量: 453.5
• InChiKey: AAKOPQIXXZBOPR-ZICVSJONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH
  申请人：SENOMYX, INC.

  公开号：US20140235623A1

  公开（公告）日：2014-08-21

  The present invention includes methods for identifying modifiers of chemosensory receptors and their ligands, e.g., by determining whether a test entity is suitable to interact with one or more interacting sites within the Venus flytrap domains of the chemosensory receptors, and modifiers capable of modulating chemosensory receptors and their ligands. The present invention also includes modifiers of chemosensory receptors and their ligands having Formula (I), its subgenus, and specific compounds. Furthermore, the present invention includes ingestible compositions comprising the modifiers of chemosensory receptors and their ligands and methods of using the modifiers of chemosensory receptors and their ligands to enhance the sweet taste of an ingestible composition or treat a condition associated with a chemosensory receptor. In addition, the present invention include processes for preparing the modifiers of chemosensory receptors and their ligands.

  本发明涉及识别化学感受受体及其配体的修饰剂的方法，例如通过确定测试实体是否适合与化学感受受体的捕蝇夹结构域内的一个或多个相互作用位点相互作用来确定。本发明还包括能够调节化学感受受体及其配体的修饰剂。本发明还包括具有公式(I)及其亚属和特定化合物的化学感受受体及其配体的修饰剂。此外，本发明还包括含有化学感受受体及其配体的修饰剂的可食用组合物及使用化学感受受体及其配体的修饰剂增强可食用组合物的甜味或治疗与化学感受受体相关的疾病的方法。此外，本发明还包括制备化学感受受体及其配体的修饰剂的方法。
• US9181276B2
  申请人：——

  公开号：US9181276B2

  公开（公告）日：2015-11-10