4-(3-amino-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylamino)-benzoic acid ethyl ester | 1373429-21-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 4-(3-amino-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylamino)-benzoic acid ethyl ester
• CAS: 1373429-21-0
• 化学式: C₂₃H₃₀N₂O₂
• 分子量: 366.503
• InChiKey: OBFDNVLVWSANDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.54
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  64.35
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(3-amino-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylamino)-benzoic acid ethyl ester 在 吡啶 、 对甲苯磺酸 、 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.67h， 生成 4-(2,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphtho[2,3-d]imidazol-1-yl)benzoic acid ethyl 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：

  5,5,8,8-四甲基-5,6,7,8-四氢萘-2-醇 在 吡啶 、 palladium on activated charcoal 、 氢气 、 硝酸 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 10.0h， 生成 4-(3-amino-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylamino)-benzoic acid ethyl 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