N-[(3-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine | 1357026-25-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[(3-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
• CAS: 1357026-25-5
• 化学式: C₂₂H₁₉N₅
• 分子量: 353.426
• InChiKey: BUVAZQXCXBXZFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-吡啶氨基腙 在 三氯氧磷 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 120.17h， 生成 N-[(3-methylphenyl)methyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
  参考文献：
  名称：

  Discovery of a new molecular probe ML228: An activator of the hypoxia inducible factor (HIF) pathway

  摘要：

  Hypoxia and ischemia are linked to several serious public health problems that affect most major organ systems. Specific examples include diseases of the cardiovascular, pulmonary, renal, neurologic, and musculoskeletal systems. The most significant pathway for cellular response to hypoxia is the hypoxia inducible factor (HIF) pathway. HIFs are transcription factors responsible for the activation of genes which encode proteins that mediate adaptive responses to reduced oxygen availability. A high-throughput cell-based HIF-mediated gene reporter screen was carried out using the NIH's Molecular Libraries Small Molecule Repository to identify activators of the HIF pathway. This communication describes the subsequent medicinal chemistry optimization of a triazine scaffold that led to the identification of the new molecular probe ML228. A discussion of HIF activation SAR within this chemotype as well as detailed in vitro characterization of the probe molecule is presented here. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.077

文献信息

• Discovery of a new molecular probe ML228: An activator of the hypoxia inducible factor (HIF) pathway
  作者：Jimmy R. Theriault、Andrew S. Felts、Brittney S. Bates、Jose R. Perez、Michelle Palmer、Shawn R. Gilbert、Eric S. Dawson、Julie L. Engers、Craig W. Lindsley、Kyle A. Emmitte

  DOI：10.1016/j.bmcl.2011.11.077

  日期：2012.1

  Hypoxia and ischemia are linked to several serious public health problems that affect most major organ systems. Specific examples include diseases of the cardiovascular, pulmonary, renal, neurologic, and musculoskeletal systems. The most significant pathway for cellular response to hypoxia is the hypoxia inducible factor (HIF) pathway. HIFs are transcription factors responsible for the activation of genes which encode proteins that mediate adaptive responses to reduced oxygen availability. A high-throughput cell-based HIF-mediated gene reporter screen was carried out using the NIH's Molecular Libraries Small Molecule Repository to identify activators of the HIF pathway. This communication describes the subsequent medicinal chemistry optimization of a triazine scaffold that led to the identification of the new molecular probe ML228. A discussion of HIF activation SAR within this chemotype as well as detailed in vitro characterization of the probe molecule is presented here. (C) 2011 Elsevier Ltd. All rights reserved.