3-[2-(4-methoxyphenyl)-3-oxo-6-({[3-(trifluoromethyl)phenyl]methyl}amino)-4-hydropyridino[2,3-b]pyrazin-4-yl]-N-methyl-propanamide | 1018675-83-6

• 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: 3-[2-(4-methoxyphenyl)-3-oxo-6-({[3-(trifluoromethyl)phenyl]methyl}amino)-4-hydropyridino[2,3-b]pyrazin-4-yl]-N-methyl-propanamide
• 英文别名: 3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trfluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)-N-methylpropanamide；3-(2-(4-methoxyphenyl)-3-oxo-6-(3-(trifluoromethyl)benzylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)-N-methylpropanamide；3-[2-(4-methoxyphenyl)-3-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-b]pyrazin-4-yl]-N-methylpropanamide
• CAS: 1018675-83-6
• 化学式: C₂₆H₂₄F₃N₅O₃
• 分子量: 511.503
• InChiKey: ZNFKEOYKZWMUEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  95.9
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  C₂₅H₂₁F₃N₄O₄ 、 盐酸甲胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 反应 24.0h， 生成 3-[2-(4-methoxyphenyl)-3-oxo-6-({[3-(trifluoromethyl)phenyl]methyl}amino)-4-hydropyridino[2,3-b]pyrazin-4-yl]-N-methyl-propanamide
  参考文献：
  名称：

  Novel, potent, selective, and metabolically stable stearoyl-CoA desaturase (SCD) inhibitors

  摘要：

  We identified a series of structurally novel SCD (Delta 9 desaturase) inhibitors via high-throughput screening and follow-up SAR studies. Modi. cation of the central bicyclic scaffold has proven key to our potency optimization effort. The most potent analog (8g) had IC(50) value of 50 pM in a HEPG2 SCD assay and has been shown to be metabolically stable and selective against Delta 5 and Delta 6 desaturases. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.019