6-(cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-methylpyridazine-3-carboxamide | 2417137-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-(cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-methylpyridazine-3-carboxamide
• 英文别名: 6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
• CAS: 2417137-50-7
• 化学式: C₂₀H₂₂N₈O₃
• 分子量: 422.446
• InChiKey: BZZKEPGENYLQSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  136
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  环丙酰胺 、 6-chloro-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-methylpyridazine-3-carboxamide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 以16 %的产率得到6-(cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-methylpyridazine-3-carboxamide
  参考文献：
  名称：

  [EN] TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF
  [FR] INHIBITEURS DE TYK2 ET COMPOSITIONS ET PROCÉDÉS ASSOCIÉS

  摘要：

  Provided herein are a novel class of therapeutic agents that are safe and effective TYK2 inhibitors and pharmaceutical compositions of these compounds and methods of preparation and use thereof against various TYK2-mediated diseases and disorders.

  公开号：

  WO2023108536A1

文献信息

• [EN] CRYSTAL FORMS OF 6-(CYCLOPROPANECARBOXAMIDO)-4-((2-METHOXY-3-(1-METHYL-1H-1,2,4-TRIAZOL-3-YL)PHENYL)AMINO)-N-(METHYL-D3)PYRIDAZINE-3-CARBOXAMIDE<br/>[FR] FORME CRISTALLINE DE 6-(CYCLOPROPANECARBOXAMIDO)-4-((2-MÉTHOXY-3-(1-MÉTHYL-1H-1,2,4-TRIAZOL-3-YL)PHÉNYL)AMINO)-N-(MÉTHYL-D3)PYRIDAZINE-3-CARBOXAMIDE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2022212181A1

  公开（公告）日：2022-10-06

  Provided are several crystalline forms of 6-(cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl) amino)-N-(methyl-d3)pyridazine-3-carboxamide: Form F, Form G, Form H, Form I, Form J, and Form K. Certain of these crystalline forms are hydrates. Characterization data for each of these crystalline forms are provided.

  提供了6-(环丙烷羧酰胺基)-4-((2-甲氧基-3-(1-甲基-1H-1,2,4-三唑-3-基)苯基)氨基)-N-(甲基-d3)吡嗪-3-羧酰胺的几种晶体形式：F型、G型、H型、I型、J型和K型。其中某些晶体形式是水合物。提供了每种晶体形式的表征数据。
• AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES
  申请人：Bristol-Myers Squibb Company

  公开号：EP3495358A1

  公开（公告）日：2019-06-12

  Compounds having the following formula I: or a stereoisomer or pharmaceutically-acceptable salt thereof, where R1, R2, R3, R4, and R5 are as defined herein, are useful in the modulation of IL-12, IL-23 and/or IFNα, by acting on Tyk-2 to cause signal transduction inhibition.

  具有下式 I 的化合物 或其立体异构体或药学上可接受的盐，其中 R1、R2、R3、R4 和 R5 如本文所定义，通过作用于 Tyk-2，导致信号转导抑制，可用于调节 IL-12、IL-23 和/或 IFNα。
• Substituted pyridines as TYK2 inhibitors
  申请人：FronThera U.S. Pharmaceuticals LLC

  公开号：US11053219B2

  公开（公告）日：2021-07-06

  Described herein are pyridine compounds of Formula (XIII) that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation

  本文所述的式 (XIII) 吡啶化合物可用于治疗 TYK2 介导的疾病。在某些实施方案中，TYK2-介导的紊乱是自身免疫性紊乱、炎症性紊乱、增殖性紊乱、内分泌紊乱、神经紊乱或与移植相关的紊乱。
• TYK2 INHIBITORS AND USES THEREOF
  申请人：FronThera U.S. Pharmaceuticals LLC

  公开号：US20200354338A1

  公开（公告）日：2020-11-12

  Described herein are compounds that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation.