2-Fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one | 1413940-38-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-Fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
• 英文别名: 2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
• CAS: 1413940-38-1
• 化学式: C₂₀H₂₃FN₂O
• 分子量: 326.414
• InChiKey: DKVRRZMTJBDMTP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  Methyl 2,3-diphenylpropanoate 在 甲醇 、 1-氯-N,N,2-三甲基丙烯胺 、 N-氟代双苯磺酰胺 、 N,N-二异丙基乙胺 、 potassium hydroxide 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 2-Fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
  参考文献：
  名称：

  Synthesis and biological characterization of a series of novel diaryl amide M1 antagonists

  摘要：

  Utilizing a combination of high-throughput and multi-step synthesis, SAR in a novel series of M-1 acetylcholine receptor antagonists was rapidly established. The efforts led to the discovery the highly potent M-1 antagonists 6 (VU0431263), and 8f (VU0433670). Functional Schild analysis and radioligand displacement experiments demonstrated the competitive, orthosteric binding of these compounds; human selectivity data are presented. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.011

文献信息

• Synthesis and biological characterization of a series of novel diaryl amide M1 antagonists
  作者：Michael S. Poslusney、Christian Sevel、Thomas J. Utley、Thomas M. Bridges、Ryan D. Morrison、Nathan R. Kett、Douglas J. Sheffler、Colleen M. Niswender、J.S. Daniels、P.J. Conn、Craig W. Lindsley、Michael R. Wood

  DOI：10.1016/j.bmcl.2012.09.011

  日期：2012.11

  Utilizing a combination of high-throughput and multi-step synthesis, SAR in a novel series of M-1 acetylcholine receptor antagonists was rapidly established. The efforts led to the discovery the highly potent M-1 antagonists 6 (VU0431263), and 8f (VU0433670). Functional Schild analysis and radioligand displacement experiments demonstrated the competitive, orthosteric binding of these compounds; human selectivity data are presented. (C) 2012 Elsevier Ltd. All rights reserved.