(Z)-N-benzylidene-2-(tert-butoxycarbonylamino)-1-(5-fluoro-1H-indol-3-yl)ethanamine N-oxide | 1309463-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: (Z)-N-benzylidene-2-(tert-butoxycarbonylamino)-1-(5-fluoro-1H-indol-3-yl)ethanamine N-oxide
• 英文别名: N-[1-(5-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-phenylmethanimine oxide
• CAS: 1309463-77-1
• 化学式: C₂₂H₂₄FN₃O₃
• 分子量: 397.449
• InChiKey: BJTFGWGJMKTKPV-WGARJPEWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  82.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (Z)-N-benzylidene-2-(tert-butoxycarbonylamino)-1-(5-fluoro-1H-indol-3-yl)ethanamine N-oxide 在 甲醇 、 盐酸羟胺 、 乙酰氯 作用下， 以 甲醇 为溶剂， 反应 3.0h， 生成 2-(5-fluoro-1H-indol-3-yl)-2-(hydroxyamino)ethanamine dihydrochloride
  参考文献：
  名称：

  Synthesis and evaluation of 1-(1H-indol-3-yl)ethanamine derivatives as new antibacterial agents

  摘要：

  A collection of 3-substituted indole derivatives was prepared using nucleophilic addition of indoles to nitrones. The compounds were then tested for their antibacterial activity against almost thirty bacterial strains representative of common human pathogens. Two types of indolic molecules inhibit the growth of Staphylococcus aureus, including MRSA and VISA strains, with MIC values ranging from 8 to 16 mg/L. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.060
• 作为产物：
  描述：

  tert-butyl 2-(benzyl(hydroxy)amino)-2-(1H-indol-3-yl)ethylcarbamate 在 甲醇 、 manganese(IV) oxide 、 乙酰氯 作用下， 以 甲苯 为溶剂， 反应 2.08h， 生成 (Z)-N-benzylidene-2-(tert-butoxycarbonylamino)-1-(5-fluoro-1H-indol-3-yl)ethanamine N-oxide
  参考文献：
  名称：

  Synthesis and evaluation of 1-(1H-indol-3-yl)ethanamine derivatives as new antibacterial agents

  摘要：

  A collection of 3-substituted indole derivatives was prepared using nucleophilic addition of indoles to nitrones. The compounds were then tested for their antibacterial activity against almost thirty bacterial strains representative of common human pathogens. Two types of indolic molecules inhibit the growth of Staphylococcus aureus, including MRSA and VISA strains, with MIC values ranging from 8 to 16 mg/L. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.060

文献信息

• BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG
  申请人：Denis Jean-Noël

  公开号：US20140309272A1

  公开（公告）日：2014-10-16

  Novel bis-indolic derivatives, processes for their preparation, and their potential use as new antibacterial drugs.

  小说双吲哚衍生物，其制备过程以及它们作为新型抗菌药物的潜在用途。
• BIS-INDOLIC DERIVATIVES, THEIR USES IN PARTICULAR AS ANTIBACTERIALS
  申请人：Denis Jean-Noël

  公开号：US20140228359A1

  公开（公告）日：2014-08-14

  The present invention relates to novel bis-indolic derivatives, processes for their preparation, and their potential use as new antibacterial drugs.

  本发明涉及新型双吲哚衍生物、其制备方法及其作为新型抗菌药物的潜在用途。
• NOVEL BIS-INDOLIC DERIVATIVES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG
  申请人：Université Joseph Fourier

  公开号：EP2548864B1

  公开（公告）日：2014-02-19
• Novel bis-indolic derivatives, their uses in particular as antibacterials
  申请人：Université Joseph Fourier

  公开号：EP2548865B1

  公开（公告）日：2014-03-05
• US9321722B2
  申请人：——

  公开号：US9321722B2

  公开（公告）日：2016-04-26