H-(NLys-Nspe-Nspe)₄-NH₂ | 620948-14-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: H-(NLys-Nspe-Nspe)₄-NH₂
• 英文别名: 2-(4-aminobutylamino)-N-[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[[2-[4-aminobutyl-[2-[[2-[(2-amino-2-oxoethyl)-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-[(1S)-1-phenylethyl]amino]-2-oxoethyl]-N-[(1S)-1-phenylethyl]acetamide
• CAS: 620948-14-3
• 化学式: C₁₀₄H₁₃₉N₁₇O₁₂
• 分子量: 1819.35
• InChiKey: HZWYXYTYOIRPBO-RYTGLQJISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  133
• 可旋转键数：
  56
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  383
• 氢给体数：
  6
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  N-叔丁氧羰基-1,4-丁二胺 、 (S)-(-)- α-甲基苄胺 、 溴乙酸 在 N,N'-二异丙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 、 N-甲基吡咯烷酮 为溶剂， 反应 0.02h， 生成 H-(NLys-Nspe-Nspe)₄-NH₂
  参考文献：
  名称：

  Photosensitizer–peptoid conjugates for photoinactivation of Gram-negative bacteria: structure–activity relationship and mechanistic studies

  摘要：

  制备了一种基于peptoid的抗微生物光动力疗法（aPDT）药物库，并揭示了高效aPDT的结构要求。

  DOI：

  10.1039/d1ob00926e

文献信息

• Antimicrobial peptoids with improved selectivity and use thereof
  申请人：GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US10815275B2

  公开（公告）日：2020-10-27

  Antimicrobial peptoids with improved selectivity to bacteria and a use thereof are described. Specifically, the antimicrobial peptoids have high antimicrobial activity and greatly decreased toxicity to animal cells. The antimicrobial peptoids show excellent antimicrobial activity against bacteria and exhibit low cytotoxicity to animal cells due to altered degree of folding in helical structure or altered charge characteristics. Therefore, the antimicrobial peptoids have improved selectivity to bacteria, and thus can be usefully used as antimicrobial compositions.

  本文介绍了对细菌具有更好选择性的抗菌肽及其用途。具体来说，这种抗菌肽具有很高的抗菌活性，对动物细胞的毒性大大降低。由于螺旋结构折叠程度的改变或电荷特性的改变，抗菌肽对细菌具有极佳的抗菌活性，对动物细胞的细胞毒性较低。因此，抗菌肽对细菌的选择性得到了改善，从而可有效地用作抗菌成分。
• ANTIMICROBIAL PEPTOIDS WITH IMPROVED SELECTIVITY AND USE THEREOF
  申请人：GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US20190284238A1

  公开（公告）日：2019-09-19

  The present invention relates to antimicrobial peptoids with improved selectivity to bacteria and a use thereof. Specifically, the present invention relates to antimicrobial peptoids having high antimicrobial activity and greatly decreased toxicity to animal cells. The antimicrobial peptoids of the present invention show excellent antimicrobial activity against bacteria and exhibit low cytotoxicity to animal cells due to altered degree of folding in helical structure or altered charge characteristics. Therefore, the antimicrobial peptoids of the present invention have improved selectivity to bacteria, and thus can be usefully used as antimicrobial compositions.