(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[1,3-bis(3-cyclohexylpropyl)imidazol-1-ium-4-yl]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide | 1448803-50-6

• 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: (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[1,3-bis(3-cyclohexylpropyl)imidazol-1-ium-4-yl]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
• CAS: 1448803-50-6
• 化学式: C₃₆H₆₇N₁₂O₃
• 分子量: 716.007
• InChiKey: SPFDRHXAXPXMCE-CHQNGUEUSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  51
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  265
• 氢给体数：
  8
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-Fmoc-N'-三苯甲基-L-组氨酸 在 盐酸 、 三氟甲磺酸酐 、 水 、 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 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.53h， 生成 (2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[1,3-bis(3-cyclohexylpropyl)imidazol-1-ium-4-yl]-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
  参考文献：
  名称：

  Non hemolytic short peptidomimetics as a new class of potent and broad-spectrum antimicrobial agents

  摘要：

  Since the bacterial resistance to antibiotics is increasing rapidly, numerous studies have contributed to the design and synthesis of potent synthetic mimics of antimicrobial peptides (AMPs). In an attempt to find the pharmacophore of short antimicrobial peptidomimetics through systematic tuning of hydrophobic and hydrophilic patterns, we have identified a set of short histidine-derived antimicrobial peptides (SAMPs) with potent and broad-spectrum activity. A combination of high antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA), without hemolytic activity and proteolytic stability makes these molecules promising candidates for novel antimicrobial therapeutics. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.016

文献信息

• Non hemolytic short peptidomimetics as a new class of potent and broad-spectrum antimicrobial agents
  作者：Ravichandran N. Murugan、Binu Jacob、Eun-Hee Kim、Mija Ahn、Hoik Sohn、Ji-Hyung Seo、Chaejoon Cheong、Jae-Kyung Hyun、Kyung S. Lee、Song Yub Shin、Jeong Kyu Bang

  DOI：10.1016/j.bmcl.2013.06.016

  日期：2013.8

  Since the bacterial resistance to antibiotics is increasing rapidly, numerous studies have contributed to the design and synthesis of potent synthetic mimics of antimicrobial peptides (AMPs). In an attempt to find the pharmacophore of short antimicrobial peptidomimetics through systematic tuning of hydrophobic and hydrophilic patterns, we have identified a set of short histidine-derived antimicrobial peptides (SAMPs) with potent and broad-spectrum activity. A combination of high antimicrobial activity against methicillin-resistant Staphylococcus aureus (MRSA), without hemolytic activity and proteolytic stability makes these molecules promising candidates for novel antimicrobial therapeutics. (C) 2013 Elsevier Ltd. All rights reserved.