4-nitrophenyl 4-methyl-3,4-dihydroquinoxaline-1(2H)-carboxylate | 1304598-51-3

• 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: 4-nitrophenyl 4-methyl-3,4-dihydroquinoxaline-1(2H)-carboxylate
• CAS: 1304598-51-3
• 化学式: C₁₆H₁₅N₃O₄
• 分子量: 313.313
• InChiKey: ANNLOKCJIRPMPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.05
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  75.92
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-(Pyrrolidin-3-yl)-1H-pyrazole 、 4-nitrophenyl 4-methyl-3,4-dihydroquinoxaline-1(2H)-carboxylate 以 四氢呋喃 为溶剂， 生成 (4-Methyl-3,4-dihydro-2H-quinoxalin-1-yl)[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]methanone
  参考文献：
  名称：

  Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1

  摘要：

  A High Throughput Screening campaign allowed the identification of a novel class of ureas as 11 beta-HSD1 inhibitors. Rational chemical optimization provided potent and selective inhibitors of both human and murine 11 beta-HSD1 with an appropriate ADME profile and ex vivo activity in target tissues. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.111
• 作为产物：
  描述：

  对硝基苯基氯甲酸酯 在 盐酸 、 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 4-nitrophenyl 4-methyl-3,4-dihydroquinoxaline-1(2H)-carboxylate
  参考文献：
  名称：

  Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1

  摘要：

  A High Throughput Screening campaign allowed the identification of a novel class of ureas as 11 beta-HSD1 inhibitors. Rational chemical optimization provided potent and selective inhibitors of both human and murine 11 beta-HSD1 with an appropriate ADME profile and ex vivo activity in target tissues. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.02.111