benzyl 7-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate | 444587-58-0

• 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: benzyl 7-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
• 英文别名: benzyl 7-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
• CAS: 444587-58-0
• 化学式: C₂₄H₂₇N₃O₅
• 分子量: 437.495
• InChiKey: IGCXIDONKXRKRF-QFIPXVFZSA-N

物化性质

• 沸点：
  679.7±55.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  benzyl 7-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate 生成 N-[[(5S)-2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
  参考文献：
  名称：

  Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials

  摘要：

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.017
• 作为产物：
  描述：

  (S)-N-[2-乙酰氧基-3-氯丙基]乙酰胺Acetamide 、 Benzyl 7-(phenylmethoxycarbonylamino)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate 在 甲醇 、 lithium tert-amoxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 benzyl 7-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-1,2,4,5-tetrahydro-3H-3-benzazepine-3-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials

  摘要：

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.017

文献信息

• Oxazolidinones having a benzannulated 6- or 7-membered heterocycle
  申请人：——

  公开号：US20020133021A1

  公开（公告）日：2002-09-19

  The present invention provides oxazolidinones having a benzannelated 6- or 7-membered heterocycle as antibacterial agents.

  本发明提供了具有苯并环的6-或7-员杂环的噁唑烷酮类作为抗菌剂。
• OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS
  申请人：Pharmacia & Upjohn Company

  公开号：EP1337530A1

  公开（公告）日：2003-08-27
• US6972286B2
  申请人：——

  公开号：US6972286B2

  公开（公告）日：2005-12-06
• [EN] OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS<br/>[FR] OXAZOLIDINONES A CYCLE BENZENIQUE COMPORTANT UN HETEROCYCLE A SIX OU SEPT ELEMENTS ACCOLE, UTILISEES COMME AGENTS ANTIBACTERIENS
  申请人：UPJOHN CO

  公开号：WO2002059115A1

  公开（公告）日：2002-08-01

  The present invention provides oxazolidinones having a benzannelated 6- or 7-membered heterocycle as antibacterial agents.
• Synthesis and biological evaluation of benzazepine oxazolidinone antibacterials
  作者：Paul D. Johnson、Paul A. Aristoff、Gary E. Zurenko、Ronda D. Schaadt、Betty H. Yagi、Charles W. Ford、Judith C. Hamel、Douglas Stapert、Judy K. Moerman

  DOI：10.1016/j.bmcl.2003.07.017

  日期：2003.12

  Novel benzazepine oxazolidinone antibacterials were synthesized and evaluated against clinically relevant susceptible and resistant organisms. The effect of ring nitrogen position and N-substitution on antibacterial activity is examined. (C) 2003 Elsevier Ltd. All rights reserved.