2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(2,6-dimethoxy-3-thiophen-2-yl-phenyl)-ethanone | 872990-44-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(3,5-di-tert-butyl-4-hydroxy-phenyl)-1-(2,6-dimethoxy-3-thiophen-2-yl-phenyl)-ethanone
• 英文别名: 2-(3,5-Ditert-butyl-4-hydroxyphenyl)-1-(2,6-dimethoxy-3-thiophen-2-ylphenyl)ethanone
• CAS: 872990-44-8
• 化学式: C₂₈H₃₄O₄S
• 分子量: 466.642
• InChiKey: WRGIWRKRGFQSCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  84
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] ARYL OR HETEROARYL CARBONYL DERIVATIVES DERIVATIVES USEFUL AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS<br/>[FR] DÉRIVÉS ARYLCARBONYLIQUES OU HÉTÉROARYLCARBONYLIQUES UTILES COMME ANTAGONISTES DU RÉCEPTEUR VANILLOÏDE DE TYPE 1 (VR1)
  申请人：PFIZER JAPAN INC

  公开号：WO2006016218A1

  公开（公告）日：2006-02-16

  This invention provides a compound of the formula (I): wherein R1 and R2 independently represent hydrogen or (C1-C6)alkyl or the like; R3 and R4 independently represent hydrogen or (C1-C3)alkyl; n represents 1 or 2; A represents phenyl or a monocyclic heteroaryl having from 5 to 6 atoms or the like; and R5 and R6 each independently represent halogen, (C1-C6)alkyl, cyano, hydroxy, hydroxy(C1-C6)alkyl, (C1-C6)alkoxy, halo(C1-C6)alkyl, (C1-C6)alkylthio, (C1-C6)alkylsulfinyl and (C1-C6)alkylsulfonyl; or a pharmaceutically acceptable ester of such compound, or a pharmaceutically acceptable salt thereof. These compounds are useful for the treatment of disease conditions caused by overactivation of VR1 receptor such of pain, or the like in mammalian. This invention also provides a pharmaceutical composition comprising the above compound.

  该发明提供了一种具有以下结构的化合物（I）：其中R1和R2分别代表氢或（C1-C6）烷基等；R3和R4分别代表氢或（C1-C3）烷基；n代表1或2；A代表苯基或具有5至6个原子的单环杂环烷基等；R5和R6各自独立地代表卤素，（C1-C6）烷基，氰基，羟基，羟基（C1-C6）烷基，（C1-C6）氧基，卤代（C1-C6）烷基，（C1-C6）硫代烷基，（C1-C6）磺酰基或（C1-C6）磺酰基；或该化合物的药学上可接受的酯，或其药学上可接受的盐。这些化合物对于治疗由VR1受体过度活化引起的疾病状况，如疼痛等，在哺乳动物中很有用。该发明还提供了一种包含上述化合物的药物组合物。
• 1,2-Bis-(substituted-phenyl)-2-propen-1-ones and pharmaceutical compositions thereof
  申请人：Weingarten David M.

  公开号：US20060063828A1

  公开（公告）日：2006-03-23

  The invention relates to compounds, pharmaceutical compositions and methods of using compounds of the general formula or its pharmaceutically acceptable salt or ester, wherein the substituents are defined in the application.

  本发明涉及一般式化合物、药物组合物及其使用方法，或其药学上可接受的盐或酯，其中取代基在申请中有定义。
• [EN] AROMATIC SULFONAMIDE DERIVATIVES<br/>[FR] DÉRIVÉS SULFONAMIDES AROMATIQUES
  申请人：BAYER PHARMA AG

  公开号：WO2017191000A9

  公开（公告）日：2018-12-27
• AROMATIC SULFONAMIDE DERIVATIVES
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3458443A1

  公开（公告）日：2019-03-27
• [EN] 1,2-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND PHARMACEUTICAL COMPOSITIONS THEREOF<br/>[FR] 1,2-BIS-(PHENYL-SUBSTITUE)-2-PROPEN-1-ONES ET DES COMPOSITIONS PHARMACEUTIQUES EN CONTENANT
  申请人：ATHEROGENICS INC

  公开号：WO2006004903A2

  公开（公告）日：2006-01-12

  The invention relates to compounds, pharmaceutical compositions and methods of using compounds of the general formula (I), or its pharmaceutically acceptable salt or ester, wherein the substituents are defined in the application.