| 1038993-97-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• CAS: 1038993-97-3
• 化学式: C₂₃H₄₀N₂O₄
• 分子量: 408.582
• InChiKey: BHGYAEMCKMGMSB-IEBWSBKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  29.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  84.5
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 生成
  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
• 作为产物：
  描述：

  在 second generation Grubbs's catalyst 作用下， 以 二氯甲烷 为溶剂， 以55%的产率得到
  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