2,8-bis(trifluoromethyl)-α-(2-nitrophenyl)-4-quinolinemethanol | 260972-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,8-bis(trifluoromethyl)-α-(2-nitrophenyl)-4-quinolinemethanol
• 英文别名: 2,8-Bis(trifluoromethyl)-alpha-(2-nitrophenyl)-4-quinolinemethanol；[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-nitrophenyl)methanol
• CAS: 260972-11-0
• 化学式: C₁₈H₁₀F₆N₂O₃
• 分子量: 416.279
• InChiKey: RKKMNIYHBSYHNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  2,8-bis(trifluoromethyl)-α-(2-nitrophenyl)-4-quinolinemethanol 在 CaCl₂ 、 锌 作用下， 以 乙醇 为溶剂， 以34%的产率得到α-(2-Aminophenyl)-2,8-bis(trifluoromethyl)-4-quinolinemethanol
  参考文献：
  名称：

  4-Quinolinemethanol derivatives as purine receptor antagonists (1)

  摘要：

  在制造用于治疗或预防需要阻断嘌呤受体的紊乱的药物中，使用公式（I）的化合物，其中：R1是氢或烷基；R2和R3独立选择自氢、烷基、芳基和杂环基，或者一起形成一个环，或者R1和R2或R3一起形成含氧的、可选地融合的环，其药学上可接受的盐或前药，但是如果R1和R4到R9都是氢，则R2或R3不是3-甲氧基-4-苄氧基苯基或2-二甲基氨基乙氧甲基。所述紊乱是神经退行性紊乱或运动紊乱，包括帕金森病或进行性核上性麻痹、亨廷顿病、多系统萎缩、皮质基底节变性、威尔逊病、哈勒罗登-斯帕茨病、进行性苍白球萎缩、多巴响应性痉挛-帕金森综合征、痉挛性瘫痪、阿尔茨海默病或其他导致运动障碍的基底节紊乱。

  公开号：

  US06583156B1

文献信息

• 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I)
  申请人：VERNALIS RESEARCH LIMITED

  公开号：EP1107760A2

  公开（公告）日：2001-06-20
• US6583156B1
  申请人：——

  公开号：US6583156B1

  公开（公告）日：2003-06-24
• [EN] 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I)<br/>[FR] DERIVES DE 4-QUINOLINEMETHANOL UTILISES COMME ANTAGONISTES (I) DU RECEPTEUR DE PURINE
  申请人：CEREBRUS PHARM LTD

  公开号：WO2000013681A2

  公开（公告）日：2000-03-16

  Use of a compound of formula (I): Wherein: R1 is hydrogen or alkyl; R2 and R3 are independently selected from hydrogen, alkyl, aryl and heterocycyll or together may form a ring or R1 and R2 or R3 together may form a oxygen-containing, optionally fused ring pharmaceutically acceptable salts or prodrugs thereof, with the proviso that where R1 and R4 to R9 are hydrogen, R2 or R3 is not 3-methoxy-4-benzyloxyphenyl or 2- dimethylaminoethoxymethyl, in the manufacture of a medicament for the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A2A receptors, may be beneficial. Said disorders are neurodegenerative disorders or movement disorders selected from Parkinson disease or progressive supemuclear palsy, Huntingtons disease, multiple system atrophy, corticobasal degeneration, Wilsons disease, Hallerrorden-Spatz disease, progressive pallidal atrophy, Dopa-responsive dystonia-Parkinsonism, spasticity, Alzheimer's disease or other disorders of the basal ganglia which result in dyskinesias.
• 4-Quinolinemethanol derivatives as purine receptor antagonists (1)
  申请人：Vernalis Research Limited

  公开号：US06583156B1

  公开（公告）日：2003-06-24

  Use a compound of formula (I) wherein: R1 is hydrogen or alkyl; R2 and R3 are independently selected from hydrogen, alkyl, aryl and heterocyclyle or together may form a ring or R1 and R2 or R3 together may form an oxygen-containing, optionally fused ring pharmaceutically acceptable salts or prodrugs thereof, with the proviso that where R1 and R4 to R9 are hydrogen, R2 or R3 is not 3-methoxy-4-benzyloxyphenyl or 2-dimethylaminoethoxymethyl, in the manufacture of a medicament for the treatment or prevention of a disorder in which the blocking of purine receptors, particularly adenosine receptors and more particularly A2A receptors, may be beneficial. Said disorders are neurodegenerative disorders or movement disorders selected from Parkinson's disease or progressive supernuclear palsy, Huntington's disease, multiple system atrophy, corticobasal degeneration, Wilson's disease, Hallerrorden-Spatz disease, progressive pallidal atrophy, Dopa-responsive dystonia-Parkinsonism, spasticity, Alzheimer's disease or other disorders of the basal ganglia which result in dyskinesias.

  在制造用于治疗或预防需要阻断嘌呤受体的紊乱的药物中，使用公式（I）的化合物，其中：R1是氢或烷基；R2和R3独立选择自氢、烷基、芳基和杂环基，或者一起形成一个环，或者R1和R2或R3一起形成含氧的、可选地融合的环，其药学上可接受的盐或前药，但是如果R1和R4到R9都是氢，则R2或R3不是3-甲氧基-4-苄氧基苯基或2-二甲基氨基乙氧甲基。所述紊乱是神经退行性紊乱或运动紊乱，包括帕金森病或进行性核上性麻痹、亨廷顿病、多系统萎缩、皮质基底节变性、威尔逊病、哈勒罗登-斯帕茨病、进行性苍白球萎缩、多巴响应性痉挛-帕金森综合征、痉挛性瘫痪、阿尔茨海默病或其他导致运动障碍的基底节紊乱。