2-[(2R,5S)-5-tert-butyl-3,6,17-trioxo-1,4,7-triazacycloheptadec-2-yl]-N-hydroxyacetamide | 1038993-99-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[(2R,5S)-5-tert-butyl-3,6,17-trioxo-1,4,7-triazacycloheptadec-2-yl]-N-hydroxyacetamide
• CAS: 1038993-99-5
• 化学式: C₂₀H₃₆N₄O₅
• 分子量: 412.53
• InChiKey: OJPUOTSLYCSHFA-RHSMWYFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 以24%的产率得到2-[(2R,5S)-5-tert-butyl-3,6,17-trioxo-1,4,7-triazacycloheptadec-2-yl]-N-hydroxyacetamide
  参考文献：
  名称：

  Design and synthesis of macrocyclic peptidyl hydroxamates as peptide deformylase inhibitors

  摘要：

  Macrocyclic peptidyl hydroxamates were designed, synthesized, and evaluated as peptide deformylase (PDF) inhibitors. The most potent compound exhibited tight, slow-binding inhibition of Escherichia coli PDF (K(I)* = 4.4 nM) and had potent antibacterial activity against Gram-positive bacterium Bacillus subtilis (MIC = 2-4 mu g/mL). (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.011

文献信息

• Design and synthesis of macrocyclic peptidyl hydroxamates as peptide deformylase inhibitors
  作者：Gang Shen、Jinge Zhu、Anthony M. Simpson、Dehua Pei

  DOI：10.1016/j.bmcl.2007.12.011

  日期：2008.5

  Macrocyclic peptidyl hydroxamates were designed, synthesized, and evaluated as peptide deformylase (PDF) inhibitors. The most potent compound exhibited tight, slow-binding inhibition of Escherichia coli PDF (K(I)* = 4.4 nM) and had potent antibacterial activity against Gram-positive bacterium Bacillus subtilis (MIC = 2-4 mu g/mL). (c) 2007 Elsevier Ltd. All rights reserved.