1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin-4-ol | 1208485-32-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin-4-ol
• CAS: 1208485-32-8
• 化学式: C₁₂H₁₅N₅O
• 分子量: 245.284
• InChiKey: AMMYWGYZUBULNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.62
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.07
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin-4-ol 、 4-茚醇 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-(2,3-dihydro-1H-inden-4-yloxy)piperidin-1-yl)-6-(1H-imidazol-1-yl)pyridazine
  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
• 作为产物：
  描述：

  4-羟基哌啶 、 3-氯-6-(1H-咪唑并L-1-基)哒嗪 在 四丁基碘化铵 、 potassium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 1-(6-(1H-imidazol-1-yl)pyridazin-3-yl)piperidin-4-ol
  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