4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydroquinoxalin-2- yl)ethynyl]benzoic acid

• 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-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydroquinoxalin-2- yl)ethynyl]benzoic acid
• 英文别名: 4-[2-(5,5,8,8-Tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid；4-[2-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)ethynyl]benzoic acid
• 化学式: C₂₁H₂₂N₂O₂
• 分子量: 334.418
• InChiKey: BUYUFJZVMVFQLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,2,5,5-四甲基己烷二酸 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 sodium tetrahydroborate 、 copper(l) iodide 、 草酰氯 、 硫酸 、 溴 、 sodium 、 potassium carbonate 、 二甲基亚砜 、 三乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 反应 90.92h， 生成 4-[2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydroquinoxalin-2- yl)ethynyl]benzoic acid
  参考文献：
  名称：

  WO2020183173A5

  摘要：

  公开号：

  WO2020183173A5

文献信息

• SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION
  申请人：University Of Durham

  公开号：EP3937923A2

  公开（公告）日：2022-01-19
• SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION
  申请人：UNIVERSITY OF DURHAM

  公开号：US20220144783A1

  公开（公告）日：2022-05-12

  The present invention relates to compounds of formula I: in which A 1 -A 7 and R 1 to R 5 are defined herein, for use in the treatment of a condition or disease which is alleviated by the activation of retinoic acid receptors (RAR). The invention also relates to pharmaceutical compounds comprising such compounds, and related methods of treatment. In an aspect, the invention relates to a method of screening compounds for therapeutic potential in the treatment of a condition or disease which is alleviated by the activation of retinoic acid receptors (RAR). Aspects of the invention relate to novel compounds of formula I in which at least one of A 1 to A 3 is or at least one of A 4 is CR 12 or A 5 is CR 13 in which R 12 /R 13 is halogen.
• [EN] SYNTHETIC RETINOIDS FOR USE IN RAR ACTIVATION<br/>[FR] RÉTINOÏDES SYNTHÉTIQUES DESTINÉS À ÊTRE UTILISÉS DANS L'ACTIVATION DE RAR
  申请人：UNIV DURHAM

  公开号：WO2020183173A2

  公开（公告）日：2020-09-17

  The present invention relates to compounds of formula I: in which A1-A7 and R1 to R5 are defined herein, for use in the treatment of a condition or disease which is alleviated by the activation of retinoic acid receptors (RAR). The invention also relates to pharmaceutical compounds comprising such compounds, and related methods of treatment. In an aspect, the invention relates to a method of screening compounds for therapeutic potential in the treatment of a condition or disease which is alleviated by the activation of retinoic acid receptors (RAR). Aspects of the invention relate to novel compounds of formula I in which at least one of A1 to A3 is N or at least one of A4 is CR12 or A5 is CR13 in which R12/R13 is halogen.
• WO2020183173A5
  申请人：——

  公开号：WO2020183173A5

  公开（公告）日：2023-02-14