3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4-(methylsulfonyl)thiophene-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4-(methylsulfonyl)thiophene-2-carboxamide
• 英文别名: 3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfonylthiophene-2-carboxamide
• 化学式: C₁₅H₁₅ClN₄O₄S₂
• 分子量: 414.893
• InChiKey: BOEDEYZBMLWUJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  144
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-氯甲基-3,5-二甲基异噁唑 在 盐酸 、 palladium 10% on activated carbon 、 potassium tert-butylate 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、202.66 kPa 条件下， 反应 20.17h， 生成 3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4-(methylsulfonyl)thiophene-2-carboxamide
  参考文献：
  名称：

  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

  摘要：

  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。

  公开号：

  US09247759B2

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 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 use thereof
  申请人：Senomyx, Inc.

  公开号：US08076491B2

  公开（公告）日：2011-12-13

  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.

  本发明涉及到发现特定的人类味觉受体T2R味觉受体家族对于存在于咖啡等物质中的特定苦味化合物作出反应。此外，本发明还涉及到发现特定的化合物和含有这些化合物的组合物，其作为苦味阻滞剂并用于咖啡和咖啡味食品、饮料和药品中作为苦味阻滞剂或味道调节剂的用途。另外，本发明还涉及到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的组合物中的苦味阻滞剂。
• Compounds that inhibit (block) bitter taste in composition and methods of making same
  申请人：LI Xiaodong

  公开号：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。