7-(4-Bromo-butyryl)-4H-benzo[1,4]oxazin-3-one | 199387-16-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: 7-(4-Bromo-butyryl)-4H-benzo[1,4]oxazin-3-one
• 英文别名: 7-(4-bromoBUTYRYL)2,3-dihydro 3-oxo 1,4-benzoxazine；7-(4-bromobutanoyl)-4H-1,4-benzoxazin-3-one
• CAS: 199387-16-1
• 化学式: C₁₂H₁₂BrNO₃
• 分子量: 298.136
• InChiKey: BMAUDMLHRHMDJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-(4-Bromo-butyryl)-4H-benzo[1,4]oxazin-3-one 在 三乙基硅烷 、 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
• 作为产物：
  描述：

  7-(4-Hydroxy-butyryl)-4H-benzo[1,4]oxazin-3-one 在 氢溴酸 作用下， 以 丙酮 为溶剂， 生成 7-(4-Bromo-butyryl)-4H-benzo[1,4]oxazin-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

• Benzoxazinone compounds
  申请人：Adir et Compagnie

  公开号：US05225409A1

  公开（公告）日：1993-07-06

  Benzoxazinone compounds of general formula (I): ##STR1## useful in the treatment of serotoninergic disorders, especially anxiety and schizophrenia, requiring for their treatment compounds which are 5-HT.sub.1A receptor agonists, wherein R.sub.1, R.sub.2, R.sub.3, and n are as defined in the description, and medicinal products containing the same, are disclosed.

  公式（I）的苯并噁唑酮化合物：##STR1## 在治疗血清素能障碍，特别是焦虑和精神分裂症方面有用，需要使用5-HT.sub.1A受体激动剂来治疗，其中R.sub.1，R.sub.2，R.sub.3和n如描述中所定义，以及包含它们的药品也被披露。
• US5225409A
  申请人：——

  公开号：US5225409A

  公开（公告）日：1993-07-06
• 5-HT1A and 5-HT2A ligands with anxiolytic and antipanic-like properties
  作者：O. Diouf、P. Carato、P. Depreux、J.P. Bonte、D.H. Caignard、B. Guardiola-Lemaître、M.C. Rettori、C. Belzung、Daniel Lesieur

  DOI：10.1016/s0960-894x(97)10023-3

  日期：1997.10

  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.