5,7-二氯-[1,2,4]三唑并[1,5-A]吡啶 | 2009345-75-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并吡啶类
• 中文名称: 5,7-二氯-[1,2,4]三唑并[1,5-A]吡啶
• 英文名称: 5,7-dichloro-[1,2,4]triazolo[1,5-a]pyridine
• 英文别名: 5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyridine
• CAS: 2009345-75-7
• 化学式: C₆H₃Cl₂N₃
• 分子量: 188.016
• InChiKey: RIEQOYPBMKFGPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,7-二氯-[1,2,4]三唑并[1,5-A]吡啶 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 sodium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 36.0h， 生成 tert-butyl 3-(4-(7-chloro[1,2,4]triazolo[1,5-a]pyridin-5-yl)-1H-pyrazol-1-yl)-3-(cyanomethyl)azetidine-1-carboxylate
  参考文献：
  名称：

  Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases

  摘要：

  Tyrosine kinase 2 (TYK2) is a member of the JAK kinase family that regulates signal transduction downstream of receptors for the IL-23/IL-12 pathways and type I interferon family, where it pairs with JAK2 or JAK1, respectively. On the basis of human genetic and emerging clinical data, a selective TYK2 inhibitor provides an opportunity to treat autoimmune diseases delivering a potentially differentiated clinical profile compared to currently approved JAK inhibitors. The discovery of an ATP-competitive pyrazolopyrazinyl series of TYK2 inhibitors was accomplished through computational and structurally enabled design starting from a known kinase hinge binding motif. With understanding of PK/PD relationships, a target profile balancing TYK2 potency and selectivity over off-target JAK2 was established. Lead optimization involved modulating potency, selectivity, and ADME properties which led to the identification of the clinical candidate PF-06826647 (22).

  DOI：

  10.1021/acs.jmedchem.0c00948
• 作为产物：
  描述：

  2-氨基-4,6-二氯吡啶 在 Eaton′s Reagent 、 盐酸羟胺 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 2.58h， 生成 5,7-二氯-[1,2,4]三唑并[1,5-A]吡啶
  参考文献：
  名称：

  [EN] FUSED BICYCLIC HETEROARYL DERIVATIVES HAVING ACTIVITY AS PHD INHIBITORS
  [FR] DÉRIVÉS HÉTÉROARYLES BICYCLIQUES FUSIONNÉS AYANT UNE ACTIVITÉ D'INHIBITEURS DE PHD

  摘要：

  本发明提供了式（I）的化合物及其药用盐，式（I）中X1，X2，X3，Y1，Y2，R1，R2和R3如规范中所定义，其制备方法，含有它们的药物组合物以及它们在治疗中的用途。

  公开号：

  WO2016148306A1

文献信息

• [EN] FUSED BICYCLIC HETEROARYL DERIVATIVES HAVING ACTIVITY AS PHD INHIBITORS<br/>[FR] DÉRIVÉS HÉTÉROARYLES BICYCLIQUES FUSIONNÉS AYANT UNE ACTIVITÉ D'INHIBITEURS DE PHD
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2016148306A1

  公开（公告）日：2016-09-22

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, formula (I) wherein X1 , X2, X 3, Y1 , Y 2, R 1, R2 and R3 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（I）的化合物及其药用盐，式（I）中X1，X2，X3，Y1，Y2，R1，R2和R3如规范中所定义，其制备方法，含有它们的药物组合物以及它们在治疗中的用途。
• [EN] TRIAZOLOPYRIDINE COMPOUNDS USEFUL AS PESTICIDES<br/>[FR] COMPOSÉS TRIAZOLOPYRIDINE UTILES EN TANT QUE PESTICIDES
  申请人：OAT & IIL INDIA LABORATORIES PRIVATE LTD

  公开号：WO2022003510A1

  公开（公告）日：2022-01-06

  The present disclosure provides a novel triazolopyridine compound as represented by formula (I) or a salt thereof that controls pests: wherein, R1 and R3 independently represent hydrogen, or the like; R2 represents C1-C6 alkyl, C3-C8 cycloalkyl, C1-C6 alkoxy, or the like; R4, R5, R7, and R8 independently represent hydrogen, halogen, or the like; R6 represents C1-C6 haloalkoxy, or the like; and Z represents an oxygen atom, a sulfur atom, SO, or SO2.

  本公开提供一种新型三唑吡啶化合物，其由式（I）或其盐表示，用于控制害虫：其中，R1和R3独立地表示氢或类似物；R2表示C1-C6烷基，C3-C8环烷基，C1-C6烷氧基或类似物；R4、R5、R7和R8独立地表示氢，卤素或类似物；R6表示C1-C6卤代烷氧基或类似物；Z表示氧原子，硫原子，SO或SO2。
• Compounds
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US10287286B2

  公开（公告）日：2019-05-14

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein X1, X2, X3, Y1, Y2, R1, R2 and R3 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式 (I) 化合物及其药学上可接受的盐类、 其中X1、X2、X3、Y1、Y2、R1、R2和R3如说明书中所定义，本发明还提供了制备它们的工艺、含有它们的药物组合物以及它们在治疗中的用途。
• FUSED BICYCLIC HETEROARYL DERIVATIVES HAVING ACTIVITY AS PHD INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP3271357A1

  公开（公告）日：2018-01-24
• Novel Compounds
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20180072714A1

  公开（公告）日：2018-03-15

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof, wherein X 1 , X 2 , X 3 , Y 1 , Y 2 , R 1 , R 2 and R 3 are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.