2-Amino-10-(2-pyrrolidin-1-yl-ethyl)-10H-dibenzo[b,f][1,4]oxazepin-11-one | 862587-14-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Amino-10-(2-pyrrolidin-1-yl-ethyl)-10H-dibenzo[b,f][1,4]oxazepin-11-one
• CAS: 862587-14-2
• 化学式: C₁₉H₂₁N₃O₂
• 分子量: 323.395
• InChiKey: ATYGWWADLHRIGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.12
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  58.8
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  S-(2-naphthylmethyl)thioacetimidate hydrobromide 、 2-Amino-10-(2-pyrrolidin-1-yl-ethyl)-10H-dibenzo[b,f][1,4]oxazepin-11-one 以 乙醇 为溶剂， 生成 MCR13
  参考文献：
  名称：

  Identification of a novel non-carbohydrate molecule that binds to the ribosomal A-site RNA

  摘要：

  We report the identification of a novel compound that binds to the Escherichia coli 16S ribosomal A-site. Binding by the compound was observed using nuclear magnetic resonance and mass spectrometry techniques. We show that the compound binds in the same position in the A-site RNA as occupied by the aminoglycoside class of antibiotics. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.088
• 作为产物：
  描述：

  2-nitro-10H-dibenzo1,4-oxazepin-11-one 在 sodium hydroxide 、 tin(ll) chloride 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 3.0h， 生成 2-Amino-10-(2-pyrrolidin-1-yl-ethyl)-10H-dibenzo[b,f][1,4]oxazepin-11-one
  参考文献：
  名称：

  Identification of a novel non-carbohydrate molecule that binds to the ribosomal A-site RNA

  摘要：

  We report the identification of a novel compound that binds to the Escherichia coli 16S ribosomal A-site. Binding by the compound was observed using nuclear magnetic resonance and mass spectrometry techniques. We show that the compound binds in the same position in the A-site RNA as occupied by the aminoglycoside class of antibiotics. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.088