3,3-Diethyl-1,4-dihydro-1,4-benzodiazepine-2,5-dione | 1431141-35-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 3,3-Diethyl-1,4-dihydro-1,4-benzodiazepine-2,5-dione
• 英文别名: 3,3-diethyl-1,4-dihydro-1,4-benzodiazepine-2,5-dione
• CAS: 1431141-35-3
• 化学式: C₁₃H₁₆N₂O₂
• mdl: MFCD22893194
• 分子量: 232.282
• InChiKey: BFECJEDUVWXHEZ-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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.384
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3-Diethyl-1,4-dihydro-1,4-benzodiazepine-2,5-dione 在 吡啶 作用下， 以 氯仿 为溶剂， 反应 36.0h， 生成 N-(2,4-difluorophenyl)-3,3-diethyl-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：

  2-氨基-2-乙基丁酸甲酯 在 5%-palladium/activated carbon 、 水 、 氢气 、 溶剂黄146 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 20.0~200.0 ℃ 、100.0 kPa 条件下， 反应 39.0h， 生成 3,3-Diethyl-1,4-dihydro-1,4-benzodiazepine-2,5-dione
  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

文献信息

• Identification and design of a novel series of MGAT2 inhibitors
  作者：Jonas G. Barlind、Linda K. Buckett、Sharon G. Crosby、Öjvind Davidsson、Hans Emtenäs、Anne Ertan、Ulrik Jurva、Malin Lemurell、Pablo Morentin Gutierrez、Karolina Nilsson、Gavin O’Mahony、Annika U. Petersson、Alma Redzic、Fredrik Wågberg、Zhong-Qing Yuan

  DOI：10.1016/j.bmcl.2013.02.084

  日期：2013.5

  [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.