2(R)-[(N-benzyloxy-N-formylamino)-methyl]-hexanoic acid-[2',2'-dimethyl-(1'(S)-4-morpholin-4-ylbenzoyl)-propyl]-amide | 301685-63-2

• 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: 2(R)-[(N-benzyloxy-N-formylamino)-methyl]-hexanoic acid-[2',2'-dimethyl-(1'(S)-4-morpholin-4-ylbenzoyl)-propyl]-amide
• CAS: 301685-63-2
• 化学式: C₃₁H₄₃N₃O₅
• 分子量: 537.7
• InChiKey: IOAXBGHGMVPVBC-GGXMVOPNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  39.0
• 可旋转键数：
  14.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  88.18
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2(R)-[(N-benzyloxy-N-formylamino)-methyl]-hexanoic acid-[2',2'-dimethyl-(1'(S)-4-morpholin-4-ylbenzoyl)-propyl]-amide 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 2(R)-[(N-formyl-N-hydroxyamino)-methyl]-hexanoic acid-(2',2'-dimethyl-1'(S)-(4-morpholin-4-ylbenzoyl)-propyl)amide
  参考文献：
  名称：

  Peptide deformylase inhibitors with activity against respiratory tract pathogens

  摘要：

  A series of analogues of the peptide deformylase (PDF) inhibitor BB-3497 where the P3' amide bond was replaced with a ketone functionality is described. The in vitro antibacterial profiling of these compounds revealed that they demonstrate activity against pathogens associated with respiratory tract infections. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.013
• 作为产物：
  描述：

  [2,2-dimethyl-1(S)-(4-morpholin-4-ylbenzoyl)-propyl]-carbamic acid tert-butyl ester 在 盐酸 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 2(R)-[(N-benzyloxy-N-formylamino)-methyl]-hexanoic acid-[2',2'-dimethyl-(1'(S)-4-morpholin-4-ylbenzoyl)-propyl]-amide
  参考文献：
  名称：

  Peptide deformylase inhibitors with activity against respiratory tract pathogens

  摘要：

  A series of analogues of the peptide deformylase (PDF) inhibitor BB-3497 where the P3' amide bond was replaced with a ketone functionality is described. The in vitro antibacterial profiling of these compounds revealed that they demonstrate activity against pathogens associated with respiratory tract infections. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.013