(3,4-dihydroquinolin-1(2H)-yl)(4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone | 1304597-12-3

• 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: (3,4-dihydroquinolin-1(2H)-yl)(4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
• 英文别名: 3,4-dihydro-2H-quinolin-1-yl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
• CAS: 1304597-12-3
• 化学式: C₁₈H₂₂N₄O₂
• 分子量: 326.398
• InChiKey: KWKFZMCBEVZFJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  62.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3,4-dihydroquinolin-1(2H)-yl)(4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone 、 盐酸甲胺 在 甲胺 作用下， 以 甲醇 为溶剂， 以31%的产率得到(3,4-dihydroquinolin-1(2H)-yl)(4-(4,5-dimethyl-4H-1,2,4-triazol-3-yl)piperidin-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：

  ethyl 1-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)piperidine-4-carboxylate 在 1-羟基苯并三唑 、 2-叔丁基亚氨基-2-二乙基氨基-1,3-二甲基全氢-1,3,2-二氮杂磷 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 对甲苯磺酰氯 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 生成 (3,4-dihydroquinolin-1(2H)-yl)(4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-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

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.