7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one | 199387-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one
• CAS: 199387-23-0
• 化学式: C₂₃H₂₉N₃O₃
• 分子量: 395.502
• InChiKey: RCESAIAXGJZEAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-chloroethyl)-4-(4-fluorobenzoyl)piperidine 、 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  5-HT1A and 5-HT2A ligands with anxiolytic and antipanic-like properties

  摘要：

  A series of new benzothiazolin-2-one, benzoxazolin-2-one and benzoxazin-3-one derivatives were synthesized and their binding profile at 5-HT1A, 5-HT2A, 5-HT2C as well as D-2 and alpha(1) receptors was determined. All studied compounds displayed high to moderate affinity for both 5-HT1A and 5-HT2A receptor subtypes. Among these, one compound (29) emerged since it exhibited potent antagonist activities at 5-HT1A, 5-HT2A, D-2 and alpha(1) central receptors and showed anxiolytic and antipanic-like effects in mice. 29 is currently undergoing preclinical evaluation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10023-3
• 作为产物：
  描述：

  7-(4-Hydroxy-butyryl)-4H-benzo[1,4]oxazin-3-one 在 三乙基硅烷 、 氢溴酸 、 三乙胺 、 三氟乙酸 作用下， 以 丙酮 为溶剂， 生成 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4H-1,4-benzoxazin-3-one
  参考文献：
  名称：

  5-HT1A and 5-HT2A ligands with anxiolytic and antipanic-like properties

  摘要：

  A series of new benzothiazolin-2-one, benzoxazolin-2-one and benzoxazin-3-one derivatives were synthesized and their binding profile at 5-HT1A, 5-HT2A, 5-HT2C as well as D-2 and alpha(1) receptors was determined. All studied compounds displayed high to moderate affinity for both 5-HT1A and 5-HT2A receptor subtypes. Among these, one compound (29) emerged since it exhibited potent antagonist activities at 5-HT1A, 5-HT2A, D-2 and alpha(1) central receptors and showed anxiolytic and antipanic-like effects in mice. 29 is currently undergoing preclinical evaluation. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)10023-3

文献信息

• Nouvelles amines alkyl hétérocycliques, leur procédé de préparation et les compositions pharmaceutiques qui les contiennent
  申请人：ADIR ET COMPAGNIE

  公开号：EP0478446B1

  公开（公告）日：1997-11-19
• US5225409A
  申请人：——

  公开号：US5225409A

  公开（公告）日：1993-07-06