I-N-(C-D-F-L-L)

• 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: I-N-(C-D-F-L-L)
• 英文别名: H-xiIle-Asn-Cys(1)-Asp-Phe-Leu-Leu-(1)；2-[(3S,6S,9S,12S,15R)-15-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-9-benzyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-thia-4,7,10,13-tetrazacyclohexadec-12-yl]acetic acid
• 化学式: C₃₈H₅₈N₈O₁₀S
• 分子量: 818.992
• InChiKey: QAOILFZLKHORKF-PBIAMFHGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  57
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  323
• 氢给体数：
  9
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  在 盐酸胍 作用下， 以 aq. phosphate buffer 、 乙腈 为溶剂， 反应 2.0h， 生成 I-N-(C-D-F-L-L)
  参考文献：
  名称：

  Peptide-based quorum sensing inhibitors for the attenuation of virulence in Staphylococcus aureus

  摘要：

  影响金黄色葡萄球菌和相关葡萄球菌物种（例如表皮葡萄球菌）的群体感应（QS）的化合物。这些化合物调节金黄色葡萄球菌物种的四个AgrC受体之一或多个，尤其是金黄色葡萄球菌。调节包括抑制或激活这四个AgrC受体之一或多个。这些化合物对细菌干扰有用，并且对治疗细菌感染，特别是葡萄球菌感染有用。治疗可以包括将本发明的一种或多种化合物与一种或多种抗生素结合使用。

  公开号：

  US09227996B2

文献信息

• US20140256615A1
  申请人：——

  公开号：US20140256615A1

  公开（公告）日：2014-09-11
• PEPTIDE-BASED QUORUM SENSING INHIBITORS FOR THE ATTENUATION OF VIRULENCE IN STAPHYLOCOCCUS AUREUS
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20160194360A1

  公开（公告）日：2016-07-07

  Compounds that affect quorum sensing (QS) in Staphylococcus aureus and related Staphylococcus species (e.g., S. epidermidis ). Compounds which modulate one or more of the four AgrC receptors of Staphylococcus species, particularly of Staphylococcus aureus . Modulation includes inhibition or activation of one or more of these four AgrC receptors. These compounds are useful for bacterial interference and are useful for treating bacterial infections, particularly staphylococcal infection. Treatment can include combination of one or more of the compounds of the invention in combination with one or more antibiotics.
• Peptide-Based Quorum Sensing Inhibitors for the Attenuation of Virulence in Staphylococcus Aureus
  申请人：Wisconsin Alumni Research Foundation

  公开号：US20200140489A1

  公开（公告）日：2020-05-07

  Compounds that affect quorum sensing (QS) in Staphylococcus aureus and related Staphylococcus species (e.g., S. epidermidis ). Compounds which modulate one or more of the four AgrC receptors of Staphylococcus species, particularly of Staphylococcus aureus . Modulation includes inhibition or activation of one or more of these four AgrC receptors. These compounds are useful for bacterial interference and are useful for treating bacterial infections, particularly staphylococcal infection. Treatment can include combination of one or more of the compounds of the invention in combination with one or more antibiotics.
• US9227996B2
  申请人：——

  公开号：US9227996B2

  公开（公告）日：2016-01-05