1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
• 英文别名: 1-ethyl-3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4,5-dihydro-3H-1-benzazepin-2-one
• 化学式: C₂₄H₃₁N₃O
• 分子量: 377.53
• InChiKey: IFFCYSLODLRHJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1,3,4,5-四氢-2H-1-苯并氮杂卓-2-酮 在 碘代三甲硅烷 、 四甲基乙二胺 、 sodium hydride 、 potassium carbonate 作用下， 以 四氢呋喃 、 二氯甲烷 、 乙腈 为溶剂， 反应 21.5h， 生成 1-Ethyl-3-[4-(4-methyl-benzyl)-piperazin-1-yl]-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
  参考文献：
  名称：

  Design, synthesis, and discovery of 3-piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives

  摘要：

  3-Piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives (delta-lactams) were designed, synthesized, and identified as a new series of mixed dopamine D-2/D-4 receptor antagonists. To further the structure-activity relationship (SAR) study, 3-piperazinylindolin-2-ones (gamma-lactams) and 3-piperazinyl-3H,4H,5H-benzo[f]azepin-2-ones (E-lactams) were also prepared and examined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00421-2

文献信息

• [EN] PIPERIDINYL AND PIPERAZINYL SUBSTITUTED BENZOFUSED LACTAMS<br/>[FR] LACTAMES BENZOFUSES A SUBSTITUTION PIPERIDINYLE ET PIPERAZINYLE
  申请人：NEUROGEN CORP

  公开号：WO2000076981A1

  公开（公告）日：2000-12-21

  Disclosed are piperidinyl and piperazinyl substituted benzofused lactam compounds which are useful for the treatment and/or prevention of neuropsychological disorders including, but not limited to, schizophrenia, mania, dementia, depression, anxiety, compulsive behavior, substance abuse, Parkinson-like motor disorders and motion disorders related to the use of neuroleptic agents. Pharmaceutical compositions, including packaged pharmaceutical compositions, are further provided. Compounds of the invention are also useful as probes for the localization of dopamine receptors in tissue samples.
• Design, synthesis, and discovery of 3-piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives
  作者：He Zhao、Andrew Thurkauf、Julia Braun、Robin Brodbeck、Andrzej Kieltyka

  DOI：10.1016/s0960-894x(00)00421-2

  日期：2000.9

  3-Piperazinyl-3,4-dihydro-2(1H)-quinolinone derivatives (delta-lactams) were designed, synthesized, and identified as a new series of mixed dopamine D-2/D-4 receptor antagonists. To further the structure-activity relationship (SAR) study, 3-piperazinylindolin-2-ones (gamma-lactams) and 3-piperazinyl-3H,4H,5H-benzo[f]azepin-2-ones (E-lactams) were also prepared and examined. (C) 2000 Elsevier Science Ltd. All rights reserved.