(4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrazol-3-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4S)-4-(2-bicyclo[2.2.1]heptanyl)-4,5-dimethyl-2-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]pyrazol-3-one
• 化学式: C₁₈H₂₃N₃O₂
• 分子量: 313.4
• InChiKey: DTDDTZJIBCZBTO-VULNERIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  65.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：SENOMYX, INC.

  公开号：US20150376136A1

  公开（公告）日：2015-12-31

  The present invention includes compounds useful as modulators of TRPM8, such as compounds of Formulae (Ia), (Ib) and (Ic), and the subgenus and species thereof; personal products containing those compounds; and the use of those compounds and the personal products, particularly the use of increasing or inducing chemesthetic sensations, such as cooling or cold sensations.

  本发明包括作为TRPM8调节剂有用的化合物，例如式(Ia)、(Ib)和(Ic)的化合物，以及其亚属和种类；含有这些化合物的个人产品；以及利用这些化合物和个人产品，特别是利用增加或诱导化学感觉，如凉爽或冷感觉。
• Compounds useful as modulators of TRPM8
  申请人：Firmenich Incorporated

  公开号：US11028052B2

  公开（公告）日：2021-06-08

  The present invention includes compounds useful as modulators of TRPM8, such as compounds of Formulae (Ia), (Ib) and (Ic), and the subgenus and species thereof; personal products containing those compounds; and the use of those compounds and the personal products, particularly the use of increasing or inducing chemesthetic sensations, such as cooling or cold sensations.

  本发明包括可用作 TRPM8 调节剂的化合物，如式（Ia）、（Ib）和（Ic）化合物及其亚属和种；含有这些化合物的个人用品；以及这些化合物和个人用品的用途，特别是增加或诱导化学麻醉感觉的用途，如冷却或冷感。
• FIVE-MEMBERED HETEROCYLIC COMPOUNDS USEFUL AS MODULATORS OF TRPM8
  申请人：Firmenich Incorporated

  公开号：EP3461816B1

  公开（公告）日：2021-03-24
• TOPICAL COMPOSITIONS COMPRISING MODULATORS OF TRPM8
  申请人：Senomyx, Inc.

  公开号：US20160339026A1

  公开（公告）日：2016-11-24

  The present disclosure relates to topical compositions comprising one or more compounds which are cooling agents.
• COMPOSITIONS FOR DELIVERING A COOLING SENSATION
  申请人：Senomyx, Inc.

  公开号：US20170087199A1

  公开（公告）日：2017-03-30

  Disclosed herein are compositions comprising combinations of one or more cooling agents with additional cooling agents, inactive drug ingredients, food additives, antimicrobials, corticosteroids, compounds known to be used in the production of home, personal care, and pet care products, and smokable materials. Further disclosed are foodstuffs, medicaments, personal care products, home products, pet care products, warming compositions, probiotic supplements and smoking articles produced by incorporating the disclosed combinations.