S-[8-[(3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]octan-3-yl] ethanethioate

• 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: S-[8-[(3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]octan-3-yl] ethanethioate
• 化学式: C₃₆H₅₃N₅O₆S
• 分子量: 683.9
• InChiKey: SGJPTXKUVYXKPZ-HXUGJRQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  48
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  164
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Methods and Compositions for the Inhibition of Quorum Sensing in Bacterial Infections
  申请人：Pearce Cedric

  公开号：US20200289611A1

  公开（公告）日：2020-09-17

  This disclosure is directed to novel apicidin methods and compositions for the inhibition of quorum sensing in bacterial infections and novel apicidin methods and compositions for treating a staphylococcal infection.
• [EN] METHODS AND COMPOSITIONS FOR THE INHIBITION OF QUORUM SENSING IN BACTERIAL INFECTIONS<br/>[FR] MÉTHODES ET COMPOSITIONS POUR L'INHIBITION DE LA DÉTECTION DU QUORUM DANS DES INFECTIONS BACTÉRIENNES
  申请人：UNIV OF NORTH CAROLINA AT GREENSBORO

  公开号：WO2017197303A1

  公开（公告）日：2017-11-16

  This disclosure is directed to novel apicidin methods and compositions for the inhibition of quorum sensing in bacterial infections and novel apicidin methods and compositions for treating a staphylococcal infection.