Methyl 3-acetamido-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate | 1227244-15-6

• 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: Methyl 3-acetamido-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
• CAS: 1227244-15-6
• 化学式: C₂₄H₃₀N₂O₃
• 分子量: 394.514
• InChiKey: QMEFOSXIVMLWDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  67.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 3-acetamido-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate 在 吡啶 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以65%的产率得到2-methyl-1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1H-benzoimidazole-5-carboxylic acid methyl ester
  参考文献：
  名称：

  RXR Partial Agonist CBt-PMN Exerts Therapeutic Effects on Type 2 Diabetes without the Side Effects of RXR Full Agonists

  摘要：

  Treating insulin resistance and type 2 diabetes in rodents, currently known retinoid X receptor (RXR) agonists induce significant adverse effects. Here we introduce a novel RXR partial agonist CBt-PMN (11b), which shows a potent glucose-lowering effect and improvements of insulin secretion and glucose tolerance without the serious adverse effects caused by RXR full agonists. We suggest that RXR partial agonists may be a new class of antitype 2 diabetes drug candidates.

  DOI：

  10.1021/ml300055n
• 作为产物：
  描述：

  3-nitro-4-[N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)amino]benzoic acid methyl ester 在 palladium on activated charcoal 、 氢气 、 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 反应 0.33h， 生成 Methyl 3-acetamido-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]benzoate
  参考文献：
  名称：

  RXR Partial Agonist CBt-PMN Exerts Therapeutic Effects on Type 2 Diabetes without the Side Effects of RXR Full Agonists

  摘要：

  Treating insulin resistance and type 2 diabetes in rodents, currently known retinoid X receptor (RXR) agonists induce significant adverse effects. Here we introduce a novel RXR partial agonist CBt-PMN (11b), which shows a potent glucose-lowering effect and improvements of insulin secretion and glucose tolerance without the serious adverse effects caused by RXR full agonists. We suggest that RXR partial agonists may be a new class of antitype 2 diabetes drug candidates.

  DOI：

  10.1021/ml300055n