(4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone | 1304597-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
• 英文别名: [4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
• CAS: 1304597-01-0
• 化学式: C₁₈H₂₄N₄O
• 分子量: 312.415
• InChiKey: UQGJUYOMKKIYGA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone 在 manganese(IV) oxide 作用下， 以 1,4-二氧六环 为溶剂， 以41%的产率得到(4-(1H-imidazol-2-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-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：

  1,2,3,4-四氢喹啉 在 三乙胺 、 三氟乙酸酐 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 (4-(4,5-dihydro-1H-imidazol-2-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-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

文献信息

• Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1
  作者：Olivier Venier、Cécile Pascal、Alain Braun、Claudie Namane、Patrick Mougenot、Olivier Crespin、François Pacquet、Cécile Mougenot、Catherine Monseau、Bénédicte Onofri、Rommel Dadji-Faïhun、Céline Leger、Majdi Ben-Hassine、Thao Van-Pham、Jean-Luc Ragot、Christophe Philippo、Stefan Güssregen、Christian Engel、Géraldine Farjot、Lionel Noah、Karima Maniani、Eric Nicolaï

  DOI：10.1016/j.bmcl.2011.02.111

  日期：2011.4

  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.