3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
• 英文别名: 3-(5-chloro-2-methoxyphenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)pyridin-2-one
• 化学式: C₂₄H₂₅ClN₂O₂
• 分子量: 408.928
• InChiKey: MKZSODUGUWEYBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-羟基吡啶 在 palladium diacetate 、 溴 、 sodium hydride 、 碳酸氢钠 、 potassium bromide 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 3-(5-Chloro-2-methoxy-phenyl)-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyridin-2-one
  参考文献：
  名称：

  3-Aryl pyridone derivatives. Potent and selective kappa opioid receptor agonists

  摘要：

  A new series of 3-aryl pyridone based kappa opioid receptor agonists was designed and synthesised, based on an understanding of the classical kappa opioid receptor pharmacophore. The most potent of the new compounds were comparable to U-69,593 in receptor affinity, selectivity and functional agonist effect at the cloned human kappa opioid receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00691-6

文献信息

• 3-Aryl pyridone derivatives. Potent and selective kappa opioid receptor agonists
  作者：Graeme Semple、Britt-Marie Andersson、Vijay Chhajlani、Jennie Georgsson、Magnus Johansson、Marcel Lindschoten、Fritof Pontén、Åsa Rosenquist、Henrik Sörensen、Lars Swanson、Marianne Swanson

  DOI：10.1016/s0960-894x(01)00691-6

  日期：2002.1

  A new series of 3-aryl pyridone based kappa opioid receptor agonists was designed and synthesised, based on an understanding of the classical kappa opioid receptor pharmacophore. The most potent of the new compounds were comparable to U-69,593 in receptor affinity, selectivity and functional agonist effect at the cloned human kappa opioid receptor. (C) 2002 Elsevier Science Ltd. All rights reserved.