(5-((6-((bis(pyridin-2-ylmethyl)amino)methyl)pyridin-2-yl)amino)-5-oxopentanoyl)-L-arginyl-L-tryptophyl-L-arginyl-L-tryptophyl-L-arginine | 1435485-74-7

• 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: (5-((6-((bis(pyridin-2-ylmethyl)amino)methyl)pyridin-2-yl)amino)-5-oxopentanoyl)-L-arginyl-L-tryptophyl-L-arginyl-L-tryptophyl-L-arginine
• CAS: 1435485-74-7
• 化学式: C₆₃H₈₁N₂₁O₈
• 分子量: 1260.47
• InChiKey: AXKBRIQNOUXNFM-TVKYAJOTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  92.0
• 可旋转键数：
  37.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  471.09
• 氢给体数：
  18.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  (5-((6-((bis(pyridin-2-ylmethyl)amino)methyl)pyridin-2-yl)amino)-5-oxopentanoyl)-L-arginyl-L-tryptophyl-L-arginyl-L-tryptophyl-L-arginine 、 L-色氨酸苯甲酯 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以102 mg的产率得到benzyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[5-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-yl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoate
  参考文献：
  名称：

  New Peptide-Based Antimicrobials for Tackling Drug Resistance in Bacteria: Single-Cell Fluorescence Imaging

  摘要：

  New peptide molecules with metal binding :abilities proved to he active against multidrug resistant clinical isolates. One of them, labeled with a dansylated lysine has been imaged inside single-multidrug resistant bacteria cells by deep ultraviolet fluorescence, showing a heterogeneous Subcellular localization. The fluorescence intensity is clearly related to the accumulation of the drug inside the bacteria, being dependent both on its concentration and on the incubation time with cells.

  DOI：

  10.1021/ml400073g
• 作为产物：
  描述：

  、 Fmoc-L-色氨酸(Boc)-OH 、 Fmoc-Pbf-L-精氨酸 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 哌啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 (5-((6-((bis(pyridin-2-ylmethyl)amino)methyl)pyridin-2-yl)amino)-5-oxopentanoyl)-L-arginyl-L-tryptophyl-L-arginyl-L-tryptophyl-L-arginine
  参考文献：
  名称：

  New Peptide-Based Antimicrobials for Tackling Drug Resistance in Bacteria: Single-Cell Fluorescence Imaging

  摘要：

  New peptide molecules with metal binding :abilities proved to he active against multidrug resistant clinical isolates. One of them, labeled with a dansylated lysine has been imaged inside single-multidrug resistant bacteria cells by deep ultraviolet fluorescence, showing a heterogeneous Subcellular localization. The fluorescence intensity is clearly related to the accumulation of the drug inside the bacteria, being dependent both on its concentration and on the incubation time with cells.

  DOI：

  10.1021/ml400073g