4-(2,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphtho[2,3-d]imidazol-1-yl)benzoic acid ethyl ester | 1373429-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 4-(2,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphtho[2,3-d]imidazol-1-yl)benzoic acid ethyl ester
• CAS: 1373429-28-7
• 化学式: C₂₅H₃₀N₂O₂
• 分子量: 390.525
• InChiKey: FPOSHEUSEKEMHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.86
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  44.12
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(2,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphtho[2,3-d]imidazol-1-yl)benzoic acid ethyl ester 在 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 0.67h， 以6.9 mg的产率得到4-(2,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphtho[2,3-d]imidazol-1-yl)-benzoic acid
  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：

  4-(3-acetylamino-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylamino)benzoic acid ethyl ester 在 吡啶 、 对甲苯磺酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以59%的产率得到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