benzyl (2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[5-[3-[(dibenzylamino)methyl]anilino]-5-oxopentanoyl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate | 1435485-80-5

• 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: benzyl (2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[5-[3-[(dibenzylamino)methyl]anilino]-5-oxopentanoyl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoate
• CAS: 1435485-80-5
• 化学式: C₈₅H₁₀₁N₁₇O₁₀S
• 分子量: 1552.91
• InChiKey: KUIARINAXKQYMU-ONDYFRGWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  113
• 可旋转键数：
  46
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  417
• 氢给体数：
  15
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  N2-(5-((3-((dibenzylamino)methyl)phenyl)amino)-5-oxopentanoyl)-N6-((5-(dimethylamino)naphthalen-1-yl)sulfonyl)-L-lysyl-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104 mg的产率得到benzyl (2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[5-[3-[(dibenzylamino)methyl]anilino]-5-oxopentanoyl]amino]-6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]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

文献信息

• New Peptide-Based Antimicrobials for Tackling Drug Resistance in Bacteria: Single-Cell Fluorescence Imaging
  作者：Jean-Marie Pagès、Slavka Kascàkovà、Laure Maigre、Anas Allam、Mickael Alimi、Jacqueline Chevalier、Erwan Galardon、Matthieu Réfrégiers、Isabelle Artaud

  DOI：10.1021/ml400073g

  日期：2013.6.13

  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.