N-(4-cyanophenyl)-4-oxo-4-phenylbutanamide | 1284029-32-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-cyanophenyl)-4-oxo-4-phenylbutanamide
• CAS: 1284029-32-8
• 化学式: C₁₇H₁₄N₂O₂
• 分子量: 278.31
• InChiKey: ZAOFUJRMUQSLEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.16
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.96
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  N-(4-cyanophenyl)-4-oxo-4-phenylbutanamide 在 五氯化磷 、 叠氮基三甲基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 18.25h， 生成 C₁₇H₁₃N₅O
  参考文献：
  名称：

  Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles

  摘要：

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.055
• 作为产物：
  描述：

  3-苯丙烯溴酸酯 、 对氨基苯腈 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 为溶剂， 反应 0.33h， 生成 N-(4-cyanophenyl)-4-oxo-4-phenylbutanamide
  参考文献：
  名称：

  Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles

  摘要：

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.055

文献信息

• Modulation of 11β-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles
  作者：Scott P. Webster、Margaret Binnie、Kirsty M.M. McConnell、Karen Sooy、Peter Ward、Michael F. Greaney、Andy Vinter、T. David Pallin、Hazel J. Dyke、Matthew I.A. Gill、Ines Warner、Jonathan R. Seckl、Brian R. Walker

  DOI：10.1016/j.bmcl.2010.04.055

  日期：2010.6

  Inhibitors of 11 beta-hydroxysteroid dehydrogenase (11 beta-HSD1) show promise as drugs to treat metabolic disease and CNS disorders such as cognitive impairment. A series of 1,5-substituted 1H-tetrazole 11 beta-HSD1 inhibitors has been discovered and chemically modified. Compounds are selective for 11 beta-HSD1 over 11 beta-HSD2 and possess good cellular potency in human and murine 11 beta-HSD1 assays. A range of in vitro stabilities are observed in human liver microsome assays. (C) 2010 Elsevier Ltd. All rights reserved.