2-(methylthio)-5-nitropyridin-4-amine | 1415387-39-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(methylthio)-5-nitropyridin-4-amine
• 英文别名: 2-(Methylthio)-5-nitropyridin-4-amine；2-methylsulfanyl-5-nitropyridin-4-amine
• CAS: 1415387-39-1
• 化学式: C₆H₇N₃O₂S
• 分子量: 185.206
• InChiKey: OURCRWLSOSDLFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(methylthio)-5-nitropyridin-4-amine 在 palladium 10% on activated carbon 、 ammonium acetate 、 氢气 、 间氯过氧苯甲酸 、 三氟乙酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 0.33h， 生成 4-(1-(2,4-dimethyl-5-(6-(methylsulfonyl)-3H-imidazo[4,5-c]pyridin-2-yl)benzoyl)piperidin-4-yl)benzonitrile
  参考文献：
  名称：

  Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation

  摘要：

  Potent imidazopyridine-based inhibitors of fatty acid synthase (FASN) are described. The compounds are shown to have antiviral (HCV replicon) activities that track with their biochemical activities. The most potent analogue (compound 19) also inhibits rat FASN and inhibits de novo palmitate synthesis in vitro (cell-based) as well as in vivo.

  DOI：

  10.1021/ml300335r
• 作为产物：
  描述：

  2-氯-4-氨基-5-硝基吡啶 、 sodium thiomethoxide 以 甲醇 、 乙醇 为溶剂， 以94%的产率得到2-(methylthio)-5-nitropyridin-4-amine
  参考文献：
  名称：

  Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation

  摘要：

  Potent imidazopyridine-based inhibitors of fatty acid synthase (FASN) are described. The compounds are shown to have antiviral (HCV replicon) activities that track with their biochemical activities. The most potent analogue (compound 19) also inhibits rat FASN and inhibits de novo palmitate synthesis in vitro (cell-based) as well as in vivo.

  DOI：

  10.1021/ml300335r

文献信息

• Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation
  作者：Johan D. Oslob、Russell J. Johnson、Haiying Cai、Shirley Q. Feng、Lily Hu、Yuko Kosaka、Julie Lai、Mohanram Sivaraja、Samnang Tep、Hanbiao Yang、Cristiana A. Zaharia、Marc J. Evanchik、Robert S. McDowell

  DOI：10.1021/ml300335r

  日期：2013.1.10

  Potent imidazopyridine-based inhibitors of fatty acid synthase (FASN) are described. The compounds are shown to have antiviral (HCV replicon) activities that track with their biochemical activities. The most potent analogue (compound 19) also inhibits rat FASN and inhibits de novo palmitate synthesis in vitro (cell-based) as well as in vivo.