2-(2-aminobenzamido)-2-methylbutanoic acid | 1444223-76-0

• 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: 2-(2-aminobenzamido)-2-methylbutanoic acid
• 英文别名: 2-[(2-Aminobenzoyl)amino]-2-methylbutanoic acid；2-[(2-aminobenzoyl)amino]-2-methylbutanoic acid
• CAS: 1444223-76-0
• 化学式: C₁₂H₁₆N₂O₃
• mdl: MFCD24904346
• 分子量: 236.271
• InChiKey: YEFXEZQDKHXGOS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(2-aminobenzamido)-2-methylbutanoic acid 在 吡啶 、 溶剂黄146 作用下， 以 氯仿 为溶剂， 反应 37.0h， 生成 N-[4-(difluoromethoxy)phenyl]-3-ethyl-3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepine-7-sulfonamide
  参考文献：
  名称：

  Identification and design of a novel series of MGAT2 inhibitors

  摘要：

  [Acyl CoA]monoacylglycerol acyltransferase 2 (MGAT2) is of interest as a target for therapeutic treatment of diabetes, obesity and other diseases which together constitute the metabolic syndrome. In this Letter we report our discovery and optimisation of a novel series of MGAT2 inhibitors. The development of the SAR of the series and a detailed discussion around some key parameters monitored and addressed during the lead generation phase will be given. The in vivo results from an oral lipid tolerance test (OLTT) using the MGAT2 inhibitor (S)-10, shows a significant reduction (68% inhibition relative to naive, p < 0.01) in plasma triacylglycerol (TAG) concentration. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.084
• 作为产物：
  描述：

  methyl 2-methyl-2-(2-nitrobenzamido)butanoate 在 palladium 10% on activated carbon 、 水 、 氢气 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 生成 2-(2-aminobenzamido)-2-methylbutanoic acid
  参考文献：
  名称：

  Identification and design of a novel series of MGAT2 inhibitors

  摘要：

  [Acyl CoA]monoacylglycerol acyltransferase 2 (MGAT2) is of interest as a target for therapeutic treatment of diabetes, obesity and other diseases which together constitute the metabolic syndrome. In this Letter we report our discovery and optimisation of a novel series of MGAT2 inhibitors. The development of the SAR of the series and a detailed discussion around some key parameters monitored and addressed during the lead generation phase will be given. The in vivo results from an oral lipid tolerance test (OLTT) using the MGAT2 inhibitor (S)-10, shows a significant reduction (68% inhibition relative to naive, p < 0.01) in plasma triacylglycerol (TAG) concentration. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.084