1-(10-{3-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-propyl}-10H-phenothiazin-2-yl)-ethanone | 62030-90-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: 1-(10-{3-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-propyl}-10H-phenothiazin-2-yl)-ethanone
• 英文别名: 2-acetyl-10-{3-[4-(p-fluorobenzoyl) piperidinyl]propyl}phenothiazine；2-acetyl-10-{3-[4-(p-fluorobenzoyl)-piperidinyl]propyl}phenothiazine；1-[10-[3-[4-(4-Fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
• CAS: 62030-90-4
• 化学式: C₂₉H₂₉FN₂O₂S
• 分子量: 488.626
• InChiKey: WGPBQPGEOAOGES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  65.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-(γ-chloropropyl)-4-(4-fluorobenzoyl)piperidine 、 2-乙酰基吩噻嗪 在 氢氧化钾 作用下， 以 甲苯 为溶剂， 反应 36.0h， 生成 1-(10-{3-[4-(4-fluoro-benzoyl)-piperidin-1-yl]-propyl}-10H-phenothiazin-2-yl)-ethanone
  参考文献：
  名称：

  [1-[3-(Phenothiazin-10-yl)propyl]-4-piperidinyl]phenylmethanones, a novel class of long-acting neuroleptic agents

  摘要：

  In previous studies the phenyl-4-piperidinylmethanone moiety was shown to be a neuroleptic pharmacophore. A short series of [1-[3-(phenothiazin-10-yl)propyl]-4-piperidinyl]phenylmethanones was prepared and tested for neuroleptic activity using the blockade of d-amphetamine lethality in aggregated mice and suppression of conditioned avoidance behavior as the end points. Most compounds were shown to be potent neuroleptic agents and two were found to possess a long duration of action.

  DOI：

  10.1021/jm00199a029

文献信息

• US4021552A
  申请人：——

  公开号：US4021552A

  公开（公告）日：1977-05-03
• [1-[3-(Phenothiazin-10-yl)propyl]-4-piperidinyl]phenylmethanones, a novel class of long-acting neuroleptic agents
  作者：Robert F. Boswell、William J. Welstead、Robert L. Duncan、David N. Johnson、William H. Funderburk

  DOI：10.1021/jm00199a029

  日期：1978.1

  In previous studies the phenyl-4-piperidinylmethanone moiety was shown to be a neuroleptic pharmacophore. A short series of [1-[3-(phenothiazin-10-yl)propyl]-4-piperidinyl]phenylmethanones was prepared and tested for neuroleptic activity using the blockade of d-amphetamine lethality in aggregated mice and suppression of conditioned avoidance behavior as the end points. Most compounds were shown to be potent neuroleptic agents and two were found to possess a long duration of action.