N-ethyl-6-methoxynicotinamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-ethyl-6-methoxynicotinamide
• 英文别名: JBSNF-000199；N-ethyl-6-methoxypyridine-3-carboxamide
• 化学式: C₉H₁₂N₂O₂
• mdl: MFCD19596519
• 分子量: 180.206
• InChiKey: NHMFRXPGFDFKNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-甲氧基烟酸 、 乙胺 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以51%的产率得到N-ethyl-6-methoxynicotinamide
  参考文献：
  名称：

  Novel nicotinamide analog as inhibitor of nicotinamide N-methyltransferase

  摘要：

  Nicotinamide N-methyltransferase (NNMT) has been linked to obesity and diabetes. We have identified a novel nicotinamide (NA) analog, compound 12 that inhibited NNMT enzymatic activity and reduced the formation of 1-methyl-nicotinamide (MNA), the primary metabolite of NA by ∼80% at 2 h when dosed in mice orally at 50 mg/kg.

  DOI：

  10.1016/j.bmcl.2018.01.058

文献信息

• Novel nicotinamide analog as inhibitor of nicotinamide N-methyltransferase
  作者：Sven Ruf、Mahanandeesha Siddappa Hallur、Nisha K. Anchan、Indu N. Swamy、Karthikai Raj Murugesan、Sayantani Sarkar、Lokesh Kananti Narasimhulu、V.P. Rama Kishore Putta、Shama Shaik、Devaraj Venkatapura Chandrasekar、Vishal Subhash Mane、Sanjay Venkatachalapathi Kadnur、Juluri Suresh、Ravi Kanth Bhamidipati、Manvi Singh、Raghunadha Reddy Burri、Rajendra Kristam、Herman Schreuder、Joerg Czech、Christine Rudolph、Alexander Marker、Thomas Langer、Ramesh Mullangi、Takeshi Yura、Ramachandraiah Gosu、Aimo Kannt、Saravanakumar Dhakshinamoorthy、Sridharan Rajagopal

  DOI：10.1016/j.bmcl.2018.01.058

  日期：2018.3

  Nicotinamide N-methyltransferase (NNMT) has been linked to obesity and diabetes. We have identified a novel nicotinamide (NA) analog, compound 12 that inhibited NNMT enzymatic activity and reduced the formation of 1-methyl-nicotinamide (MNA), the primary metabolite of NA by ∼80% at 2 h when dosed in mice orally at 50 mg/kg.