4-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-3,4-dimethyl-1-(2-oxo-2-phenylethyl)-1H-pyrazol-5(4H)-one

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-3,4-dimethyl-1-(2-oxo-2-phenylethyl)-1H-pyrazol-5(4H)-one
• 英文别名: 4-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethyl-2-phenacylpyrazol-3-one
• 化学式: C₂₀H₂₄N₂O₂
• 分子量: 324.423
• InChiKey: LETJYXJMISEQCF-BFNFPZTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-(bicyclo[2.2.1]heptan-2-yl)-3,4-dimethyl-1H-pyrazol-5(4H)-one 、 2-溴苯乙酮 以to obtain the desired 4-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-3,4-dimethyl-1-(2-oxo-2-phenylethyl)-1H-pyrazol-5(4H)-one (50 mg, 17%) as a white powder的产率得到4-((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)-3,4-dimethyl-1-(2-oxo-2-phenylethyl)-1H-pyrazol-5(4H)-one
  参考文献：
  名称：

  COMPOUNDS USEFUL AS MODULATORS OF TRPM8

  摘要：

  本发明涉及可用作TRPM8调节剂的化合物，例如公式（Ia），（Ib）和（Ic）的化合物，以及其亚属和物种；含有这些化合物的个人产品；以及这些化合物和个人产品的使用，特别是用于增加或诱导化学感觉，例如冷却或寒冷感觉。

  公开号：

  US20150376136A1

文献信息

• Compounds useful as modulators of TRPM8
  申请人：Firmenich Incorporated

  公开号：US10421727B2

  公开（公告）日：2019-09-24

  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
• US9840471B2
  申请人：——

  公开号：US9840471B2

  公开（公告）日：2017-12-12
• [EN] COMPOUNDS USEFUL AS MODULATORS OF TRPM8<br/>[FR] COMPOSÉS UTILES COMME MODULATEURS DE TRPM8
  申请人：SENOMYX INC

  公开号：WO2014130582A2

  公开（公告）日：2014-08-28

  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.
• 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。