(2R)-2-[[(2R)-2-amino-3-(4-phenylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[(2R)-1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide

• 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: (2R)-2-[[(2R)-2-amino-3-(4-phenylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[(2R)-1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide
• 化学式: C₄₁H₅₂N₁₀O₃
• 分子量: 732.929
• InChiKey: BXDSVAJFJZHLHN-KUFDTJSHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  54
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  242
• 氢给体数：
  8
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 水 为溶剂， 反应 1.0h， 以86.6 mg的产率得到(2R)-2-[[(2R)-2-amino-3-(4-phenylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-[(2R)-1-[4-(diaminomethylideneamino)butylamino]-1-oxo-3-(4-phenylphenyl)propan-2-yl]pentanamide
  参考文献：
  名称：

  [EN] ANTIMICROBIAL PEPTIDOMIMETICS
  [FR] COMPOSÉS PEPTIDOMIMÉTIQUES ANTIMICROBIENS

  摘要：

  公开号：

  WO2015112093A3

文献信息

• [EN] ANTIMICROBIAL PEPTIDOMIMETICS<br/>[FR] PEPTIDOMIMÉTIQUES À ACTIVITÉ ANTIMICROBIENNE
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2019027366A1

  公开（公告）日：2019-02-07

  The present invention relates to peptides containing guanidine and halogenated biphenyl moieties of the formula (I), and to salts and solvates of each of these peptides and to processes for the preparation thereof, compositions containing them and the uses of such compounds. It has been found that the compounds have a high microbicide activity and are suited to combat resistant bacteria, such as Methicillin-resistant Staphylococcus aureus (MRSA) strains, at very low concentrations.

  本发明涉及式(I)中含有胍基和卤代联苯基团的肽，以及这些肽的盐和溶剂化物的制备方法、含有它们的组合物以及这些化合物的用途。已经发现，这些化合物具有高度的杀菌活性，并且适用于以非常低的浓度对抗耐药细菌，例如甲氧西林耐药金黄色葡萄球菌(MRSA)菌株。
• Antimicrobial peptidomimetics
  申请人：Agency for Science, Technology and Research

  公开号：US10787483B2

  公开（公告）日：2020-09-29

  The present invention relates to peptidomimetics of the formula (I) or (I)c wherein L1, L2, L3, R1, R2, R3, R4, R5, R6, n, m, Q, X, Z1 and Z2 are defined as mentioned in the description and to salts and solvates of each of these compounds and to processes for the preparation thereof, compositions containing them and the uses of such compounds. It has been found that the compounds have a high microbicide activity and are suited to combat resistant bacteria, such as meticillin-resistant Staphylococcus aureus (MRSA) strains, at very low concentrations.

  本发明涉及式(I)或(I)c的拟肽物，其中L1、L2、L3、R1、R2、R3、R4、R5、R6、n、m、Q、X、Z1和Z2的定义如描述中所提及，本发明还涉及这些化合物的盐和溶解物及其制备工艺、含有这些化合物的组合物和这些化合物的用途。研究发现，这些化合物具有很高的杀微生物活性，适合在极低浓度下对付耐药性细菌，如耐甲氧西林金黄色葡萄球菌（MRSA）菌株。
• ANTIMICROBIAL PEPTIDOMIMETICS
  申请人：Agency for Science, Technology and Research

  公开号：EP3071591B1

  公开（公告）日：2021-05-05
• Antimicrobial Peptidomimetics
  申请人：AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH

  公开号：US20160333048A1

  公开（公告）日：2016-11-17

  The present invention relates to peptidomimetics of the formula (I) or (I)c wherein L 1 , L 2 , L 3 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , n, m, Q, X, Z 1 and Z 2 are defined as mentioned in the description and to salts and solvates of each of these compounds and to processes for the preparation thereof, compositions containing them and the uses of such compounds. It has been found that the compounds have a high microbicide activity and are suited to combat resistant bacteria, such as meticillin-resistant Staphylococcus aureus (MRSA) strains, at very low concentrations.