3-[4-(2-乙基苯氧基)哌啶-1-基]-6-咪唑-1-基哒嗪 | 921606-81-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-[4-(2-乙基苯氧基)哌啶-1-基]-6-咪唑-1-基哒嗪
• 英文名称: 3-(4-(2-ethylphenoxy)piperidin-1-yl)-6-(1H-imidazol-1-yl)pyridazine
• 英文别名: 3-[4-(2-ethylphenoxy)piperidin-1-yl]-6-imidazol-1-ylpyridazine
• CAS: 921606-81-7
• 化学式: C₂₀H₂₃N₅O
• 分子量: 349.436
• InChiKey: OGCILDQEMFKUAN-UHFFFAOYSA-N

物化性质

• 沸点：
  591.3±50.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  56.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙基苯酚 、 1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin-4-ol 在 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 3-[4-(2-乙基苯氧基)哌啶-1-基]-6-咪唑-1-基哒嗪
  参考文献：
  名称：

  Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438)

  摘要：

  A series of stearoyl-CoA desaturase 1 (SCD1) inhibitors were developed. Investigations of enzyme potency and metabolism led to the identification of the thiadiazole-pyridazine derivative MF-438 as a potent SCD1 inhibitor. MF-438 exhibits good pharmacokinetics and metabolic stability, thereby serving as a valuable tool for further understanding the role of SCD inhibition in biological and pharmacological models of diseases related to metabolic disorders. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.111

文献信息

• Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438)
  作者：Serge Léger、W. Cameron Black、Denis Deschenes、Sarah Dolman、Jean-Pierre Falgueyret、Marc Gagnon、Sébastien Guiral、Zheng Huang、Jocelyne Guay、Yves Leblanc、Chun-Sing Li、Frédéric Massé、Renata Oballa、Lei Zhang

  DOI：10.1016/j.bmcl.2009.11.111

  日期：2010.1

  A series of stearoyl-CoA desaturase 1 (SCD1) inhibitors were developed. Investigations of enzyme potency and metabolism led to the identification of the thiadiazole-pyridazine derivative MF-438 as a potent SCD1 inhibitor. MF-438 exhibits good pharmacokinetics and metabolic stability, thereby serving as a valuable tool for further understanding the role of SCD inhibition in biological and pharmacological models of diseases related to metabolic disorders. (C) 2009 Elsevier Ltd. All rights reserved.