7-phenyl-3-(pyrazin-2-yl)-6-(1H-1,2,4-triazol-3-ylmethyloxy)-1,2,4-triazolo[4,3-b]pyridazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 7-phenyl-3-(pyrazin-2-yl)-6-(1H-1,2,4-triazol-3-ylmethyloxy)-1,2,4-triazolo[4,3-b]pyridazine
• 英文别名: 7-Phenyl-3-(pyrazin-2-yl)-6-(1H-1,2,4-triazol-3-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine；7-phenyl-3-pyrazin-2-yl-6-(1H-1,2,4-triazol-5-ylmethoxy)-[1,2,4]triazolo[4,3-b]pyridazine
• 化学式: C₁₈H₁₃N₉O
• 分子量: 371.361
• InChiKey: BOVQKXIZZOADOV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  7-Phenyl-3-(pyrazin-2-yl)-6-[2-(2-(trimethylsilyl)ethoxymethyl)-2H-1,2,4-triazol-3-ylmethoxy]-1,2,4-triazolo[4,3-b]pyridazine 在 盐酸 、 sodium carbonate 作用下， 以 乙醇 为溶剂， 生成 7-phenyl-3-(pyrazin-2-yl)-6-(1H-1,2,4-triazol-3-ylmethyloxy)-1,2,4-triazolo[4,3-b]pyridazine
  参考文献：
  名称：

  Triazolopyridazine derivatives for treating anxiety and enhancing cognition

  摘要：

  一种具有化学式I的化合物，或其盐或前药：其中：Z代表C1-6烷基，C3-7环烷基，C4-7环烯基，芳基，C3-7杂环烷基，杂芳基或二(C1-6)烷基氨基，其中任何这些基团均可选择性地被取代；R1代表选择自噁唑，噻唑，异噁唑，异硫唑，咪唑，吡唑，噁二唑，噻二唑，三唑和四唑中的一种选择性地取代的五元杂芳环；或R1代表选择自吡啶，嘧啶和吡啶并[1,2-a]吡嗪中的一种选择性地取代的六元杂芳环；以及R2代表氰基(C1-6)烷基，羟基(C1-6)烷基，C3-7环烷基(C1-6)烷基，丙炔基，C3-7杂环烷基羰基(C1-6)烷基，芳基(C1-6)烷基或杂芳基(C1-6)烷基，其中任何这些基团均可选择性地被取代；其用于治疗焦虑和包含它的制药组合物；还公开了一类在增强认知方面有用的化合物，例如阿尔茨海默病。

  公开号：

  US06297235B1

文献信息

• TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP1107967A2

  公开（公告）日：2001-06-20
• US6297235B1
  申请人：——

  公开号：US6297235B1

  公开（公告）日：2001-10-02
• US6444666B1
  申请人：——

  公开号：US6444666B1

  公开（公告）日：2002-09-03
• [EN] TRIAZOLOPYRIDAZINE DERIVATIVES FOR TREATING ANXIETY AND ENHANCING COGNITION<br/>[FR] DERIVES DE TRIAZOLOPYRIDAZINE, UTILISE COMME ANXIOLYTIQUES ET AMELIORANTS COGNITIFS
  申请人：MERCK SHARP & DOHME

  公开号：WO2000012505A2

  公开（公告）日：2000-03-09

  A compound of formula (I), or a salt or prodrug thereof wherein: Z represents C1-6 alkyl, C3-7 cycloalkyl, C4-7 cycloalkenyl, aryl, C3-7 heterocycloalkyl, heteroaryl, di(C1-6)alkylamino or C6-12 bicycloalkyl, any of which groups may be optionally substituted; R1 represents an optionally substituted five-membered heteroaromatic ring selected from pyrrole, oxazole, thiazole, isoxazole, isothiazole, imidazole, pyrazole, oxadiazole, thiadiazole, triazole and tetrazole; or R1 represents an optionally substituted six-membered heteroaromatic ring selected from pyridine, pyrazine, pyrimidine and pyridazine; and R2 represents cyano(C¿1-6?)alkyl, hydroxy(C1-6)alkyl, C3-7 cycloalkyl(C1-6)alkyl, propargyl, C3-7 heterocycloalkylcarbonyl(C1-6)alkyl, aryl(C1-6)alkyl or heteroaryl(C1-6)alkyl, any of which groups may be optionally substituted; its use in treating anxiety and pharmaceutical compositions comprising it; a subclass of compounds which are useful in enhancing cognition, such as Alzheimer's Disease, is also disclosed.
• Triazolopyridazine derivatives for treating anxiety and enhancing cognition
  申请人：Merck Sharp & Dohme Ltd.

  公开号：US06297235B1

  公开（公告）日：2001-10-02

  A compound of formula I, or a salt or prodrug thereof: wherein: Z represents C1-6 alkyl, C3-7 cycloalkyl, C4-7 cycloalkenyl, aryl, C3-7 heterocycloalkyl, heteroaryl or di(C1-6)alkylamino, any of which groups may be optionally substituted; R1 represents an optionally substituted five-membered heteroaromatic ring selected from oxazole, thiazole, isoxazole, isothiazole, imidazole, pyrazole, oxadiazole, thiadiazole, triazole and tetrazole; or R1 represents an optionally substituted six-membered heteroaromatic ring selected from pyrazine, pyrimidine and pyridazine; and R2 represents cyano(C1-6)alkyl, hydroxy(C1-6)alkyl, C3-7 cycloalkyl(C1-6)alky, propargyl, C3-7 heterocycloalkylcarbonyl(C1-6)alkyl, aryl(C1-6)alkyl or heteroaryl(C1-6)alkyl, any of which groups may be optionally substituted; its use in treating anxiety and pharmaceutical compositions comprising it; a subclass of compounds which are useful in enhancing cognition, such as Alzheimer's Disease, is also disclosed.

  一种具有化学式I的化合物，或其盐或前药：其中：Z代表C1-6烷基，C3-7环烷基，C4-7环烯基，芳基，C3-7杂环烷基，杂芳基或二(C1-6)烷基氨基，其中任何这些基团均可选择性地被取代；R1代表选择自噁唑，噻唑，异噁唑，异硫唑，咪唑，吡唑，噁二唑，噻二唑，三唑和四唑中的一种选择性地取代的五元杂芳环；或R1代表选择自吡啶，嘧啶和吡啶并[1,2-a]吡嗪中的一种选择性地取代的六元杂芳环；以及R2代表氰基(C1-6)烷基，羟基(C1-6)烷基，C3-7环烷基(C1-6)烷基，丙炔基，C3-7杂环烷基羰基(C1-6)烷基，芳基(C1-6)烷基或杂芳基(C1-6)烷基，其中任何这些基团均可选择性地被取代；其用于治疗焦虑和包含它的制药组合物；还公开了一类在增强认知方面有用的化合物，例如阿尔茨海默病。