4-Acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester
• 英文别名: (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-acetyloxy-3-methoxybenzoate
• 化学式: C₂₀H₂₆O₅
• 分子量: 346.4
• InChiKey: KUGMSYFFXZDRGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Small molecule inhibitors of TRPA1
  申请人：B.R.A.I.N. Biotechnology Research and Information Network AG

  公开号：US10000438B2

  公开（公告）日：2018-06-19

  The present invention relates to the use of compounds which are capable of attenuating skin irritation when they are applied to the skin. Skin irritation can be caused, inter alia, by ingredients of cosmetic or pharmaceutical compositions and/or environmental irritants. In particular, the present invention relates to compounds having the property of antagonizing the activation of the transient receptor potential (TRP) ankyrin 1 (TRPA1) ion channel and the use of said compounds as soothing agents. Such compounds can be used in many fields, particularly in personal-care products, cosmetics, textile and packaging products, pharmaceutical compositions, medical devices, and foodstuffs. The present invention further relates to products and/or pharmaceutical compositions containing said compounds. The present invention also relates to the use of the compounds described herein for the modulation of the taste of a food product.

  本发明涉及化合物的使用，当这些化合物用于皮肤时，能够减轻对皮肤的刺激。皮肤刺激可由化妆品或药物组合物的成分和/或环境刺激物等引起。本发明尤其涉及具有拮抗瞬时受体电位（TRP）ankin 1（TRPA1）离子通道活化特性的化合物，以及将上述化合物用作舒缓剂。此类化合物可用于许多领域，特别是个人护理产品、化妆品、纺织品和包装产品、药物组合物、医疗器械和食品。本发明还涉及含有上述化合物的产品和/或药物组合物。本发明还涉及本文所述化合物在调节食品口味方面的用途。
• SMALL MOLECULE INHIBITORS OF TRPA1
  申请人：B.R.A.I.N. Biotechnology Research and Information Network AG

  公开号：EP2706995B1

  公开（公告）日：2016-11-30
• US9440993B2
  申请人：——

  公开号：US9440993B2

  公开（公告）日：2016-09-13
• [EN] SMALL MOLECULE INHIBITORS OF TRPA1<br/>[FR] INHIBITEURS DE TRPA1 À PETITE MOLÉCULE
  申请人：BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG

  公开号：WO2012152940A2

  公开（公告）日：2012-11-15

  The present invention relates to the use of compounds which are capable of attenuating skin irritation when they are applied to the skin. Skin irritation can be caused, inter alia, by ingredients of cosmetic or pharmaceutical compositions and/or environmental irritants. In particular, the present invention relates to compounds having the property of antagonizing the activation of the transient receptor potential (TRP) ankyrin 1 (TRPA1) ion channel and the use of said compounds as soothing agents. Such compounds can be used in many fields, particularly in personal-care products, cosmetics, textile and packaging products, pharmaceutical compositions, medical devices,and foodstuffs. The present invention further relates to products and/or pharmaceutical compositions containing said compounds. The present invention also relates to the use of the compounds described herein for the modulation of the taste of a food product.