6'-(4-methylpiperazin-1-yl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2,3'-bipyridine | 1333492-60-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 6'-(4-methylpiperazin-1-yl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2,3'-bipyridine
• 英文别名: 1-Methyl-4-[4-[3-(2-pyridinyl)-1H-pyrazol-4-yl][2,3'-bipyridin]-6'-yl]piperazine；1-methyl-4-[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridin-2-yl]pyridin-2-yl]piperazine
• CAS: 1333492-60-6
• 化学式: C₂₃H₂₃N₇
• 分子量: 397.483
• InChiKey: BVWNOAMYVMKTGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-吡啶甲酸乙酯 在 盐酸 、 四(三苯基膦)钯 、 双(三甲基硅烷基)氨基钾 、 sodium carbonate 、 一水合肼 、 溶剂黄146 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 26.08h， 生成 6'-(4-methylpiperazin-1-yl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2,3'-bipyridine
  参考文献：
  名称：

  2-Phenyl and 2-heterocyclic-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridines as inhibitors of TGF-β1 and activin A signalling

  摘要：

  Novel inhibitors of TGF-beta 1 and activin A signalling based on a 2-aryl-4-(3-(pyridin-2-yl)-1H-pyrazol-4yl) pyridine pharmacophore have been synthesised. Compounds containing phenyl or aromatic nitrogen heterocycle substituents inhibited both types of signalling with HEK-293T cells in culture, with a selectivity preference for TGF-beta 1. Synthetic compounds containing pyridin-3-yl, pyrazol-4-yl, pyrazol-1-yl or 1H-imidazoyl-1-yl substituents exhibited structural and functional attributes suitable for further investigation related to the development of more potent TGF-beta inhibitors. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2010.12.120

文献信息

• 2-Phenyl and 2-heterocyclic-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridines as inhibitors of TGF-β1 and activin A signalling
  作者：Rudy Ciayadi、Mahesh Potdar、Kelly L. Walton、Craig A. Harrison、Geoffrey F. Kelso、Simon J. Harris、Milton T.W. Hearn

  DOI：10.1016/j.bmcl.2010.12.120

  日期：2011.9

  Novel inhibitors of TGF-beta 1 and activin A signalling based on a 2-aryl-4-(3-(pyridin-2-yl)-1H-pyrazol-4yl) pyridine pharmacophore have been synthesised. Compounds containing phenyl or aromatic nitrogen heterocycle substituents inhibited both types of signalling with HEK-293T cells in culture, with a selectivity preference for TGF-beta 1. Synthetic compounds containing pyridin-3-yl, pyrazol-4-yl, pyrazol-1-yl or 1H-imidazoyl-1-yl substituents exhibited structural and functional attributes suitable for further investigation related to the development of more potent TGF-beta inhibitors. (C) 2011 Published by Elsevier Ltd.