3-溴-2-氰基-4-甲基吡啶 | 717843-45-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 3-溴-2-氰基-4-甲基吡啶
• 英文名称: 3-Bromo-4-methylpicolinonitrile
• 英文别名: 3-bromo-4-methylpyridine-2-carbonitrile
• CAS: 717843-45-3
• 化学式: C₇H₅BrN₂
• 分子量: 197.03
• InChiKey: FBVRTASSYFBLLN-UHFFFAOYSA-N

物化性质

• 沸点：
  318℃
• 密度：
  1.61
• 闪点：
  146℃

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  36.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1H-1,2,3-三氮唑 、 氮气 、 3-溴-2-氰基-4-甲基吡啶 、 (1R,2R)-(-)-N,N'-二甲基-1,2-环己二胺 、 Dicaesio carbonate 在 碘化亚铜 乙酸乙酯 、 magnesium sulfate 、 silica gel 、 正庚烷 作用下， 以 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 1.0h， 以gave the title compound (112 mg, 27%)的产率得到4-methyl-3-(2H-1,2,3-triazol-2-yl)picolinonitrile
  参考文献：
  名称：

  SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS

  摘要：

  本发明涉及式I的化合物：其中环A是苯基，萘基，吡啶基，喹啉基，异喹啉基，咪唑吡啶基，呋喃基，噻唑基，异恶唑基，吡唑基，咪唑噻唑基，苯并咪唑基或吲唑基；R1为H，烷基，烷氧基，羟基烷基，OH，卤素，苯基，三唑基，噁唑基，异噻唑基，吡啶基，嘧啶基，吡嗪基，吡啶嗪基，哌嗪基，吡唑基，噁二唑基，吡咯烷基，噻吩基，吗啉基或二烷基氨基；R2为H，烷基，烷氧基，羟基烷基或卤素；Z为NH，N-烷基或O；R5为吡啶基，嘧啶基，吡嗪基，吡啶嗪基，喹唑啉基，喹喔啉基，吡唑基，苯并噁唑基，咪唑吡嗪基，三唑基吡嗪基，可选地带有一个或两个取自烷基，烷氧基或卤素的取代基；n为0或1。还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的制药组合物。使用本发明化合物的方法也在本发明的范围内。

  公开号：

  US20150328224A1

文献信息

• SUBSTITUTED 7-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS
  申请人：COATE Heather R.

  公开号：US20160046640A1

  公开（公告）日：2016-02-18

  The present invention is directed to compounds of Formula I: wherein ring A is phenyl, naphihalenyl, pyridyl, quinolinyl, isoquinolinyl, imidazopyridyl, furanyi, tlisazolyl, isoxazolvl, pyrazolyl, imidazothiazolyi, benzimidazolyl, or indazolyi; R 1 is H, alky], aikoxy, hydroxyalkylene, OH, halo, phenyl, triazolyl, oxazolyl, isoxazofyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazmyl, piperazinyl, pyrazolyl, oxadiazolvl, pyrrolidinyl, thiophenyi, morpholinyl, or dialkyiamino; R 2 is H, alkyl, aikoxy, hydroxyalkylene, or halo; Z is NH, N-alkyl, or O; R 5 is pyridyl, pyrimidinyl, pyrazinyl, pyridazmyl, qumazolinyi, quinoxalinyl, pyrazolyl, benzoxazolyl, imidazopyrazinyl, triazolopyrazinyl, optionally substituted with a one or two substituents independently selected from the group consisting of alkyl, aikoxy, or halo; and n is 0 or 1, Methods of making the compounds of Formula 1 are also described. The invention also relates to pharmaceutical compositions comprising compounds of Formula I. Methods of using the compounds of the invention are also within the scope of the invention.

  本发明涉及式I的化合物：其中环A为苯基、萘基、吡啶基、喹啉基、异喹啉基、咪唑吡啉基、呋喃基、噻唑基、异噁唑基、吡唑基、咪唑噻唑基、苯并咪唑基或吲哚基；R1为H、烷基、烷氧基、羟基烷基、OH、卤素、苯基、三唑基、噁唑基、异噁唑基、吡啶基、嘧啶基、吡嗪基、吡啶并嗪基、哌嗪基、吡唑基、噁二唑基、吡咯烷基、噻吩基、吗啉基或二烷氨基；R2为H、烷基、烷氧基、羟基烷基或卤素；Z为NH、N-烷基或O；R5为吡啶基、嘧啶基、吡嗪基、吡啶并嗪基、喹唑啉基、喹喹啉基、吡唑基、苯并噁唑基、咪唑吡嗪基、三唑咪唑基，可选地取代一个或两个独立选择自烷基、烷氧基或卤素的基团；n为0或1，还描述了制备式I化合物的方法。本发明还涉及包含式I化合物的药物组合物。本发明还涉及使用该化合物的方法。
• [EN] HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS<br/>[FR] COMPOSÉS HÉTÉROAROMATIQUES ET LEUR UTILISATION COMME LIGANDS DE LA DOPAMINE D1
  申请人：PFIZER

  公开号：WO2014072881A1

  公开（公告）日：2014-05-15

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced β- arrestin recruitment activity relative to Dopamine, D1 agonists interacting significantly with the Ser188 but not significantly with the Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with the Asp103 and interacting less strongly with the Ser198 of a D1R when binding to the D1R, and their uses.

  本发明部分提供了化合物I的公式：及其药学上可接受的盐和N-氧化物；制备的过程和中间体；以及其组合物和用途。本发明进一步提供了具有减少D1R耐受性的D1激动剂，相对于多巴胺具有减少β-阿雷斯汀招募活性的D1激动剂，当结合到D1R时与D1R的Ser188显著相互作用但与Ser202的相互作用不显著的D1激动剂，当结合到D1R时与D1R的Asp103相互作用较弱并且与Ser198相互作用较弱的D1激动剂，以及它们的用途。
• Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists
  申请人：——

  公开号：US20040180875A1

  公开（公告）日：2004-09-16

  The present invention is directed to novel compounds represented by structural Formula (I): 1 or a pharmaceutically acceptable salt thereof, wherein R 1 , R 4a , R 5 , R 6 , R 7 , R 8 , R 9 , and m, are defined herein. The invention is also concerned with pharmaceutical formulations comprising these novel compounds as active ingredients and the use of the novel compounds and their formulations in the treatment of certain central nervous system disorders. The compounds of this invention are serotonin receptor modulators, in particular 5HT 2C receptor agonists and antagonists, and are useful in the control or prevention of central nervous system disorders including obesity, anorexia, bulemia, depression, anxiety, psychosis, schizophrenia, migraine, addictive behavior, obsessive-compulsive disorder, and sexual disorders.

  本发明涉及由结构式(I)表示的新化合物或其药学上可接受的盐，其中R1、R4a、R5、R6、R7、R8、R9和m在此被定义。本发明还涉及包含这些新化合物作为活性成分的制药配方以及在治疗某些中枢神经系统疾病中使用这些新化合物和它们的配方。本发明的化合物是血清素受体调节剂，特别是5HT2C受体激动剂和拮抗剂，并且在控制或预防中枢神经系统疾病，包括肥胖症、厌食症、暴食症、抑郁症、焦虑症、精神病、精神分裂症、偏头痛、成瘾行为、强迫症和性功能障碍方面是有用的。
• Heteroaromatic Compounds and their Use as Dopamine D1 Ligands
  申请人：PFIZER INC.

  公开号：US20150344490A1

  公开（公告）日：2015-12-03

  The present invention provides, in part, compounds of Formula I: and pharmaceutically acceptable salts thereof and N-oxides thereof; processes and intermediates for preparation of; and compositions and uses thereof. The present invention further provides D1 agonists with reduced D1R desensitization, D1 agonists with a reduced β-arrestin recruitment activity relative to Dopamine, D1 agonists interacting significantly with the Ser188 but not significantly with the Ser202 of a D1R when binding to the D1R, D1 agonists interacting less strongly with the Asp103 and interacting less strongly with the Ser198 of a D1R when binding to the D1R, and their uses.

  本发明提供了部分式I的化合物及其药学上可接受的盐和N-氧化物；其制备的过程和中间体；以及其组合物和用途。本发明还提供了具有降低D1R失效的D1激动剂，具有相对于多巴胺降低β-阻滞素招募活性的D1激动剂，当结合到D1R时与Ser188显著相互作用但与Ser202显著不相互作用的D1激动剂，当结合到D1R时与Asp103相互作用较弱且与Ser198相互作用较弱的D1激动剂，以及它们的用途。
• US20140275065A1
  申请人：——

  公开号：——

  公开（公告）日：——