1-Methyl-5-(4-nitro-phenyl)-piperidin-2-one | 41216-18-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-Methyl-5-(4-nitro-phenyl)-piperidin-2-one
• 英文别名: 1-Methyl-5-(4-nitrophenyl)piperidin-2-one；1-methyl-5-(4-nitrophenyl)piperidin-2-one
• CAS: 41216-18-6
• 化学式: C₁₂H₁₄N₂O₃
• 分子量: 234.255
• InChiKey: DVCYBYIEVCNHKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  66.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Methyl-5-(4-nitro-phenyl)-piperidin-2-one 在 platinum(IV) oxide 氢气 、 溶剂黄146 作用下， 生成 1-Methyl-5-(4-phenylazo-phenyl)-piperidin-2-one
  参考文献：
  名称：

  Simple Bi- and tricyclic inhibitors of human steroid 5α-reductase

  摘要：

  A number of tricyclic thiolactams, bicyclic lactams, and bicyclic thiolactams have been prepared and evaluated in vitro as inhibitors of types and ? steroid 5 alpha-reductase. The tricycles with an 8-chloro substituent in the C-ring are nM (IC50) inhibitors of type steroid 5 alpha-reductase (SR). In all the cases studied, lactams are more potent than the corresponding thiolactams. Activity against type 2 SR is greatly enhanced by a styryl (or ate) substituent on the aryl ring of the tri- and bicycles and also a related tricyclic aryl acid. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00368-1
• 作为产物：
  描述：

  1-Methyl-2-oxo-5-phenyl-piperidin 在 硫酸 、 potassium nitrate 作用下， 以49%的产率得到1-Methyl-5-(4-nitro-phenyl)-piperidin-2-one
  参考文献：
  名称：

  Simple Bi- and tricyclic inhibitors of human steroid 5α-reductase

  摘要：

  A number of tricyclic thiolactams, bicyclic lactams, and bicyclic thiolactams have been prepared and evaluated in vitro as inhibitors of types and ? steroid 5 alpha-reductase. The tricycles with an 8-chloro substituent in the C-ring are nM (IC50) inhibitors of type steroid 5 alpha-reductase (SR). In all the cases studied, lactams are more potent than the corresponding thiolactams. Activity against type 2 SR is greatly enhanced by a styryl (or ate) substituent on the aryl ring of the tri- and bicycles and also a related tricyclic aryl acid. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00368-1

文献信息

• Simple Bi- and tricyclic inhibitors of human steroid 5α-reductase
  作者：Andrew D Abell、Maureen J Prince、Ann M McNulty、Blake L Neubauer

  DOI：10.1016/s0960-894x(00)00368-1

  日期：2000.9

  A number of tricyclic thiolactams, bicyclic lactams, and bicyclic thiolactams have been prepared and evaluated in vitro as inhibitors of types and ? steroid 5 alpha-reductase. The tricycles with an 8-chloro substituent in the C-ring are nM (IC50) inhibitors of type steroid 5 alpha-reductase (SR). In all the cases studied, lactams are more potent than the corresponding thiolactams. Activity against type 2 SR is greatly enhanced by a styryl (or ate) substituent on the aryl ring of the tri- and bicycles and also a related tricyclic aryl acid. (C) 2000 Elsevier Science Ltd. All rights reserved.