(2S)-(1-tert-butoxycarbonyl-2-pyrrolidinyl) 2,8-bis(trifluoromethyl)quinolin-4-yl methanone | 261000-92-4

• 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: (2S)-(1-tert-butoxycarbonyl-2-pyrrolidinyl) 2,8-bis(trifluoromethyl)quinolin-4-yl methanone
• 英文别名: (2S)-(1-tert-Butoxycarbonyl-2-pyrrolidinyl)2,8-bis(trifluoromethyl)quinolin-4-yl Methanone；tert-butyl (2S)-2-[2,8-bis(trifluoromethyl)quinoline-4-carbonyl]pyrrolidine-1-carboxylate
• CAS: 261000-92-4
• 化学式: C₂₁H₂₀F₆N₂O₃
• 分子量: 462.392
• InChiKey: ACZYKRQJGBFTPQ-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  59.5
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4-溴-2,8-二(三氟甲基)喹啉 、 Boc-L-脯氨酸甲酯 在 1-二苯甲基氮杂环丁烷-3-酮 作用下， 以the product (1.32 g, 29%) isolated as a cream solid的产率得到(2S)-(1-tert-butoxycarbonyl-2-pyrrolidinyl) 2,8-bis(trifluoromethyl)quinolin-4-yl methanone
  参考文献：
  名称：

  4-quinolinemethanol derivatives as purine receptor antagonists (II)

  摘要：

  使用公式（I）所定义的化合物，或其药学上可接受的盐或前药，制造用于治疗或预防某种疾病的药物，该疾病中阻断嘌呤受体，特别是腺苷受体，更特别是A2a受体，可能是有益的，例如运动障碍，例如帕金森病或进行性上核性麻痹症，亨廷顿病，多系统萎缩，皮质基底节变性，威尔逊病，哈勒罗德-斯帕茨病，进行性苍白球萎缩，多巴响应性肌张力障碍-帕金森综合症，痉挛性，阿尔茨海默病或其他基底节疾病所导致的运动障碍。

  公开号：

  US06608085B1

文献信息

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

  公开号：EP1107761A2

  公开（公告）日：2001-06-20
• US6608085B1
  申请人：——

  公开号：US6608085B1

  公开（公告）日：2003-08-19
• [EN] 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS.(II)<br/>[FR] DERIVES DE 4-QUINOLINEMETHANOL UTILISES COMME ANTAGONISTES (II) DU RECEPTEUR DE PURINE
  申请人：CEREBRUS PHARM LTD

  公开号：WO2000013682A2

  公开（公告）日：2000-03-16

  Wherein: R1 is hydrogen or alkyl; R2 is selected from hydrogen, alkyl, aryl and 4,5,6,7 or 8 membered satured and partially unsaturated heterocyclic rings containing one or more heteroatoms selected from O, S and N; R3 and R4 are independently selected from hydrogen, alkyl, aryl, COR13, CO2R13, CONR13R14, CONR13NR14R15, SO2R13, SO2NR13R14, SO2NR13NR14R15 or may form a ring. Or R1 and R4 together may form a heterocyclic ring or R2 and R3 together may form a heterocyclic ring. R5 and R6 are independently selected from hydrogen, alkyl, aryl and heterocyclic with the proviso that where R3 and R5 together form a ring, then R3, and R4 do not also form a ring; or a pharmaceutically acceptable salt or prodrug thereof, 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, such as a movement disorder, for example, Parkinson's Disease or progressive supernuclear palsy, Huntingtons disease, multiple system atrophy, corticobasal degeneration, Wilsons disease, Hallerrorder-Spatz disease, progressive pallidal atrophy, Dopa-responsive dystonia-Parkinsonism, spasticity, Alzheimer's disease or other disorders of the basal ganglia which result in dyskinesias.