5-氨基-1-(3-吡啶)-1H-吡唑-4-甲腈 | 650638-16-7

• 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: 5-氨基-1-(3-吡啶)-1H-吡唑-4-甲腈
• 英文名称: 5-amino-1-pyridin-3-yl-1H-pyrazole-4-carbonitrile
• 英文别名: 5-amino-1-pyridin-3-ylpyrazole-4-carbonitrile
• CAS: 650638-16-7
• 化学式: C₉H₇N₅
• 分子量: 185.188
• InChiKey: UUXPHPYQUCVVKO-UHFFFAOYSA-N

物化性质

• 沸点：
  440.9±40.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  80.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-氨基-1-(3-吡啶)-1H-吡唑-4-甲腈 在 亚硝基硫酸 、 硫酸 作用下， 以 溶剂黄146 为溶剂， 生成 4-Cyano-2-pyridin-3-ylpyrazole-3-diazonium
  参考文献：
  名称：

  AZO PIGMENTS AND DISPERSION, COLORING COMPOSITION AND INK FOR INK-JET RECORDING CONTAINING THE AZO PIGMENTS, INK-JET RECORDING METHOD AND RECORDED PRODUCT

  摘要：

  公开号：

  EP2253672B1
• 作为产物：
  描述：

  3-肼基吡啶 、 乙氧基亚甲基丙二腈 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 5-氨基-1-(3-吡啶)-1H-吡唑-4-甲腈
  参考文献：
  名称：

  新型GLUT抑制剂的鉴定

  摘要：

  使用HTS将1 H-吡唑并[3,4- d ]嘧啶类化合物鉴定为促进葡萄糖转运蛋白1（GLUT1）的非常有效的抑制剂。建立了分子框架每个环系统的广泛结构-活性关系研究（SAR），揭示了必要的结构动机（即，邻甲氧基取代的苯，哌嗪和嘧啶）。对GLUT2的选择性非常好，并且最初的体外和体内药代动力学（PK）研究令人鼓舞。

  DOI：

  10.1016/j.bmcl.2016.02.050

文献信息

• [EN] 1, 5-DIHYDRO-PYRAZOLO (3, 4-D) PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS FOR THE TEATMENT OF CNS DISORDERS<br/>[FR] DÉRIVÉS DE 1,5-DIHYDRO-PYRAZOLO(3,4-D)PYRIMIDIN-4-ONE ET LEUR UTILISATION EN TANT QUE MODULATEURS DE PDE9A POUR LE TRAITEMENT DE TROUBLES DU SNC
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009068617A1

  公开（公告）日：2009-06-04

  The invention relates to novel substituted pyrazolopyrimidines. Chemically, the compounds are characterised by general Formula (I): with R1 being phenyl or pyridyl, any of which is substituted with 1 to 4, preferably 1 to 3 substituents X; X independently of each other being selected from C2-C6-alky1 or Ci-C6-alkoxy, where C2-C6-alkyl and C1-C6-alkoxy are at least dihalogenated up to perhalogenated. preferably with 2 to 6 halogen substituents, and the halogen atoms being selected from the group of fluoro, chloro and bromo, preferably fluoro; R2 being phenyl or heteroaryl, where phenyl is substituted by 1 to 3 radicals and heteroaryl is optionally substituted by 1 to 3 radicals in each case independently of one another selected from the group of C1-C6-alkyI, C1-C6- alkoxy, hydroxycarbonyl, cyano, trifluoromethyl, amino, nitro, hydroxy, C1-C6- alkylamino, halogen, C6-C10-arylcarbonylamino, C1-C6-alkylcarbonylamino, C1- C6-alkylaminocarbonyl. C1-C6-alkoxycarbonyl, C6-C10-arylaminocarbonyl, heteroarylaminocarbonyl. heteroarylcarbonylamino, C1-C6-alkylsulphonyl- amino, C1-C6-alkylsulphonyl and C1-C6-alkylthio; The new compounds shall be used for the manufacture of medicaments, in particular medicaments for improving, perception, concentration, learning and/or memory in patients in need thereof.

  该发明涉及新型取代吡唑吡嘧啶化合物。从化学角度来看，这些化合物的特征由一般式（I）表示：其中R1为苯基或吡啶基，其中任一取代为1到4个，优选为1到3个取代基X；X独立地选自C2-C6-烷基或C1-C6-烷氧基，其中C2-C6-烷基和C1-C6-烷氧基至少经过二卤化至全卤化处理，最好具有2到6个卤素取代基，卤素原子选自氟、氯和溴，最好为氟；R2为苯基或杂环烷基，其中苯基取代为1到3个基团，杂环烷基可选择性地取代为1到3个基团，每种基团独立地选自C1-C6-烷基、C1-C6-烷氧基、羟基羰基、氰基、三氟甲基、氨基、硝基、羟基、C1-C6-烷基氨基、卤素、C6-C10-芳基羰胺基、C1-C6-烷基羰胺基、C1-C6-烷氨基羰基、C1-C6-烷氧羰基、C6-C10-芳基氨基羰基、杂环烷基氨基羰基、杂环烷基羰胺基、C1-C6-烷基磺酰氨基、C1-C6-烷基磺酰基和C1-C6-烷基硫基；这些新化合物可用于制备药物，特别是用于改善患者的感知、注意力、学习和/或记忆的药物。
• Pyrazolopyrimidines as kinase inhibitors
  申请人：Dickerson Howard Scott

  公开号：US20060167020A1

  公开（公告）日：2006-07-27

  The present invention relates generally to inhibitors of the kinases and more particularly to novel pyrazolopyrimidine compounds.

  本发明涉及抑制激酶的化合物，更具体地涉及新型吡唑并嘧啶化合物。
• AZO COMPOUND, AZO PIGMENT, AND DISPERSION, COLORED COMPOSITION, INK-JET RECORDING INK, INK-JET RECORDING INK TANK, INK-JET RECORDING METHOD AND RECORDED MATERIAL EACH CONTAINING THE AZO COMPOUND OR THE AZO PIGMENT
  申请人：FUJIFILM Corporation

  公开号：EP2253672A1

  公开（公告）日：2010-11-24

  An azo pigment represented by the general formula (1), a tautomer, salt, or hydrate thereof: wherein R1, R2, R3, Y, Z, and G each independently represents a hydrogen atom or a substituent, n represents an integer of from 2 to 4 and, when n=2, the general formula (1) represents a dimer formed through R1, R2, R3, Y, Z, or G and, when n=3, the general formula (1) represents a trimer formed through R1, R2, R3, Y, Z, or G and, when n=4, the general formula (1) represents a tetramer formed through R1, R2, R3, Y, Z, or G.

  由通式（1）代表的偶氮颜料、其同分异构体、盐或水合物： 其中 R1、R2、R3、Y、Z 和 G 各自独立地代表氢原子或取代基，n 代表 2 至 4 的整数，当 n=2 时，通式 (1) 代表通过 R1、R2、R3、Y、Z 或 G 形成的二聚体，当 n=3 时，通式 (1) 代表通过 R1、R2、R3、Y、Z 或 G 形成的三聚体，当 n=4 时，通式 (1) 代表通过 R1、R2、R3、Y、Z 或 G 形成的四聚体。
• Novel pyrazolopyrimidine derivatives as GSK-3 inhibitors
  作者：Andrew J Peat、Joyce A Boucheron、Scott H Dickerson、Dulce Garrido、Wendy Mills、Jennifer Peckham、Frank Preugschat、Terrence Smalley、Stephanie L Schweiker、Jayme R Wilson、Tony Y Wang、Huiqiang Q Zhou、Stephen A Thomson

  DOI：10.1016/j.bmcl.2004.02.036

  日期：2004.5

  A series of [1-aryl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]arylhydrazones were discovered as novel inhibitors glycogen synthase kinase-3 (GSK-3). Based on initial modeling a detailed SAR was constructed. Modification of the interior binding aryl ring (Art) determined this to be a tight binding region with little room for modification. As predicted from the model, a large variety of modifications could be incorporated into the hydrazone aryl ring. This work led to GSK-3 inhibitors in the low nano-molar range. (C) 2004 Elsevier Ltd. All rights reserved.
• [EN] PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS<br/>[FR] PYRAZOLOPYRIMIDINES EN TANT QU'INHIBITEURS DE KINASES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004009597A3

  公开（公告）日：2004-05-27