4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-methyl-1,2,4-triazolidine-3,5-dione | 1119832-05-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-methyl-1,2,4-triazolidine-3,5-dione
• 英文别名: 4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-methyl-1,2,4-triazolidine-3,5-dione
• CAS: 1119832-05-1
• 化学式: C₁₂H₁₄N₆O₃
• 分子量: 290.282
• InChiKey: OMTFQQFHRXURPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  96.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-methyl-1,2,4-triazolidine-3,5-dione 、 4-氟溴乙基苯 生成 1-benzyl-4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-methyl-1,2,4-triazolidine-3,5-dione
  参考文献：
  名称：

  Compounds that inhibit (block) bitter taste in composition and use thereof

  摘要：

  本发明涉及到的发现是，人类T2R味觉受体家族中的特定味觉受体对存在于咖啡等中的特定苦味化合物做出反应。此外，本发明涉及到的是发现了特定化合物和含有这些化合物的组合物，它们作为苦味阻断剂，可以用于咖啡和咖啡味食品、饮料和药品的苦味阻断剂或风味调节剂。此外，本发明还涉及到一种拮抗多种不同人类T2R的化合物，可以用于测定和作为人类和动物摄入组合物的苦味阻断剂。

  公开号：

  US07939671B2
• 作为产物：
  描述：

  ethyl 4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-methyl-3,5-dioxo-1,2,4-triazolidine-1-carboxylate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 0.5h， 以89%的产率得到4-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-1-methyl-1,2,4-triazolidine-3,5-dione
  参考文献：
  名称：

  BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF

  摘要：

  本发明涵盖已知用于改变苦味感知的化合物和组合物，以及所述组合物和化合物与额外的组合物、化合物和产品的组合。示例组合物包括以下一种或多种：冷却剂；无活性药物成分；活性药用成分；食品添加剂或食品；调味剂或调味增强剂；食品或饮料产品；苦味化合物；甜味剂；苦味剂；酸味调味剂；咸味调味剂；鲜味调味剂；植物或动物产品；已知用于宠物护理产品中的化合物；已知用于个人护理产品中的化合物；已知用于家用产品中的化合物；制药制剂；局部制剂；大麻衍生或与大麻相关的产品；已知用于口腔护理产品中的化合物；饮料；香味、香水或除臭剂；已知用于消费品中的化合物；硅化合物；磨料；表面活性剂；发热剂；吸烟物品；脂肪、油脂或乳化剂；和/或益生菌或补充剂。

  公开号：

  US20160376263A1

文献信息

• Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof
  申请人：SENOMYX, INC.

  公开号：US09247759B2

  公开（公告）日：2016-02-02

  The present invention relates to the discovery that specific human taste receptors in the T2R taste receptor family respond to particular bitter compounds present in, e.g., coffee. Also, the invention relates to the discovery of specific compounds and compositions containing that function as bitter taste blockers and the use thereof as bitter taste blockers or flavor modulators in, e.g., coffee and coffee flavored foods, beverages and medicaments. Also, the present invention relates to the discovery of a compound that antagonizes numerous different human T2Rs and the use thereof in assays and as a bitter taste blocker in compositions for ingestion by humans and animals.

  本发明涉及发现，T2R味觉受体家族中的特定人类味觉受体对存在于咖啡等物质中的特定苦味化合物产生反应。此外，本发明涉及发现特定化合物和含有该化合物的组合物，其作为苦味阻断剂的功能，以及将其用作苦味阻断剂或调味剂，例如在咖啡和咖啡味食品、饮料和药品中。此外，本发明涉及发现一种对多种不同人类T2R产生拮抗作用的化合物，以及将其用于检测中和作为人类和动物摄入的组合物中的苦味阻断剂。
• Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in composition and use thereof
  申请人：Li Xiaodong

  公开号：US20090274632A1

  公开（公告）日：2009-11-05

  The present invention relates to the discovery that specific human taste receptors in the T2R taste receptor family respond to particular bitter compounds present in, e.g., coffee. Also, the invention relates to the discovery of specific compounds and compositions containing that function as bitter taste blockers and the use thereof as bitter taste blockers or flavor modulators in, e.g., coffee and coffee flavored foods, beverages and medicaments. Also, the present invention relates to the discovery of a compound that antagonizes numerous different human T2Rs and the use thereof in assays and as a bitter taste blocker in compositions for ingestion by humans and animals.

  本发明涉及发现T2R味觉受体家族中特定人类味觉受体对咖啡等中特定苦味化合物的反应。此外，本发明涉及发现特定化合物和含有该化合物的组合物作为苦味阻断剂的功能，以及将其用作苦味阻断剂或调味剂，例如在咖啡和咖啡味食品、饮料和药品中。此外，本发明涉及发现一种对抗多种不同人类T2R的化合物，并将其用于检测中以及作为人类和动物摄入的组合物中的苦味阻断剂。
• Compounds that inhibit (block) bitter taste in composition and methods of making same
  申请人：LI Xiaodong

  公开号：US20110207937A1

  公开（公告）日：2011-08-25

  The present invention relates to the discovery that specific human taste receptors in the T2R taste receptor family respond to particular bitter compounds present in, e.g., coffee. Also, the invention relates to the discovery of specific compounds and compositions containing that function as bitter taste blockers and the use thereof as bitter taste blockers or flavor modulators in, e.g., coffee and coffee flavored foods, beverages and medicaments. Also, the present invention relates to the discovery of a compound that antagonizes numerous different human T2Rs and the use thereof in assays and as a bitter taste blocker in compositions for ingestion by humans and animals.

  本发明涉及发现T2R味觉受体家族中的特定人类味觉受体对存在于咖啡等物质中的特定苦味化合物做出反应。此外，本发明还涉及发现特定化合物和含有该化合物的组合物，其作为苦味味觉阻滞剂的功能以及在咖啡和咖啡味食品、饮料和药品中作为苦味味觉阻滞剂或风味调节剂的使用。此外，本发明还涉及发现一种拮抗多种不同人类T2R的化合物，以及在人类和动物摄入的组合物中作为苦味味觉阻滞剂的使用和试验。
• COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF
  申请人：KARANEWSKY Donald S.

  公开号：US20120088796A1

  公开（公告）日：2012-04-12

  The present invention relates to the discovery that specific human taste receptors in the T2R taste receptor family respond to particular bitter compounds present in, e.g., coffee. Also, the invention relates to the discovery of specific compounds and compositions containing that function as bitter taste blockers and the use thereof as bitter taste blockers or flavor modulators in, e.g., coffee and coffee flavored foods, beverages and medicaments. Also, the present invention relates to the discovery of a compound that antagonizes numerous different human T2Rs and the use thereof in assays and as a bitter taste blocker in compositions for ingestion by humans and animals.

  本发明涉及到的发现是特定的人类味觉受体T2R味觉受体家族对于存在于咖啡中的特定苦味化合物做出反应。此外，本发明涉及到的发现是特定的化合物和含有这些化合物的组合物，作为苦味阻滞剂或调味剂在例如咖啡和咖啡味食品、饮料和药品中的使用。此外，本发明涉及到的发现是一种拮抗多种不同人类T2R的化合物，其在人类和动物摄入的组合物中可用作测定和苦味阻滞剂。
• COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME
  申请人：LI Xiaodong

  公开号：US20130183252A1

  公开（公告）日：2013-07-18

  The present invention relates to the discovery that specific human taste receptors in the T2R taste receptor family respond to particular bitter compounds present in, e.g., coffee. Also, the invention relates to the discovery of specific compounds and compositions containing that function as bitter taste blockers and the use thereof as bitter taste blockers or flavor modulators in, e.g., coffee and coffee flavored foods, beverages and medicaments. Also, the present invention relates to the discovery of a compound that antagonizes numerous different human T2Rs and the use thereof in assays and as a bitter taste blocker in compositions for ingestion by humans and animals.

  本发明涉及发现人类T2R味觉受体家族中的特定味觉受体对存在于咖啡中的特定苦味化合物做出反应。此外，本发明涉及发现特定化合物和含有该化合物的组合物作为苦味阻滞剂的功能，以及在咖啡和咖啡味食品、饮料和药品中作为苦味阻滞剂或调味剂的使用。此外，本发明涉及发现一种拮抗多种不同人类T2R的化合物，并将其用于测定和作为人类和动物摄入组合物中苦味阻滞剂。