tert-butyl (S)-4-((3-chloro-4-morpholinophenyl)carbamoyl)oxazolidine-3-carboxylate | 1101196-70-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: tert-butyl (S)-4-((3-chloro-4-morpholinophenyl)carbamoyl)oxazolidine-3-carboxylate
• CAS: 1101196-70-6
• 化学式: C₁₉H₂₆ClN₃O₅
• 分子量: 411.886
• InChiKey: YZJNVMLCYFXGJE-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.71
• 重原子数：
  28.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  80.34
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  tert-butyl (S)-4-((3-chloro-4-morpholinophenyl)carbamoyl)oxazolidine-3-carboxylate 在 盐酸 、 2-propanephosphonic acid anhydride 作用下， 以 乙酸乙酯 为溶剂， 生成 (S)-3-((R)-2-((N-(benzyloxy)formamido)methyl)hexanoyl)-N-(3-chloro-4-morpholinophenyl)oxazolidine-4-carboxamide
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of oxazolidine LBM-415 analogs as peptide deformylase inhibitors

  摘要：

  The drug resistant bacteria pose a severe threat to human health. The increasing resistance of those pathogens to traditional antibacterial therapy renders the identification of new antibacterial agents with novel antibacterial mechanisms an urgent need. In this study, a series of (2S)-N-substituted-1-[(formyhydroxyamino) methyl]-1-oxohexyl]-2-oxazolidinecarboxamides were designed, synthesized and evaluated for in vitro antibacterial activity. Most of these compounds displayed good activities against Gram-positive organisms comparable to reference agent LBM-415. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.097
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 2-氯-4,6-二甲氧基-1,3,5-三嗪 、 sodium hydroxide 作用下， 生成 tert-butyl (S)-4-((3-chloro-4-morpholinophenyl)carbamoyl)oxazolidine-3-carboxylate
  参考文献：
  名称：

  Synthesis and in vitro antibacterial activity of oxazolidine LBM-415 analogs as peptide deformylase inhibitors

  摘要：

  The drug resistant bacteria pose a severe threat to human health. The increasing resistance of those pathogens to traditional antibacterial therapy renders the identification of new antibacterial agents with novel antibacterial mechanisms an urgent need. In this study, a series of (2S)-N-substituted-1-[(formyhydroxyamino) methyl]-1-oxohexyl]-2-oxazolidinecarboxamides were designed, synthesized and evaluated for in vitro antibacterial activity. Most of these compounds displayed good activities against Gram-positive organisms comparable to reference agent LBM-415. Crown Copyright (C) 2010 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.097