(1S,2R,18R,19R,22S,25R,28R,40R)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

• 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: (1S,2R,18R,19R,22S,25R,28R,40R)-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-22-(2-amino-2-oxoethyl)-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid;(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• 化学式: C101H114Cl2FN15O33S
• 分子量: 2188.0
• InChiKey: FDZKYWONUWZTNA-DGCJHBCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  153
• 可旋转键数：
  21
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  740
• 氢给体数：
  22
• 氢受体数：
  39

文献信息

• [EN] QUINAZOLINONE ANTIBIOTICS<br/>[FR] ANTIBIOTIQUES QUINAZOLINONES
  申请人：UNIV NOTRE DAME

  公开号：WO2014138302A1

  公开（公告）日：2014-09-12

  A new class of antibiotics effective against methicillin-resistant Staphylococcusaureus (MRSA) is disclosed. Compounds of this class can impair cell-wall biosynthesis by binding to both the allosteric and the catalytic domains of penicillin-binding protein (PBP) 2a. This class of antibiotics holds promise in reversing obsolescence of staphylococcal PBPs as important targets for antibiotics. Embodiments of the invention thus provide novel antibacterial compounds that target penicillin-binding proteins and/or other important cellular targets. Methods for inhibiting the growth and/or replication of bacteria using the compounds described herein are also provided. Various embodiments exhibit activity against gram positive bacteria, including drug-resistant strains of Staphylococcus aureus.

  揭示了一类新型抗生素，对耐甲氧西林金黄色葡萄球菌（MRSA）有效。该类化合物可以通过结合青霉素结合蛋白（PBP）2a的变构和催化结构域来损害细胞壁的生物合成。这类抗生素有望逆转金黄色葡萄球菌PBP作为抗生素重要靶点的过时性。因此，本发明的实施例提供了针对青霉素结合蛋白和/或其他重要细胞靶点的新型抗菌化合物。还提供了使用本文所述化合物抑制细菌的生长和/或复制的方法。各种实施例对革兰氏阳性细菌表现出活性，包括耐药品系的金黄色葡萄球菌。
• QUINAZOLINONE ANTIBIOTICS
  申请人：University Of Notre Dame Du Lac

  公开号：EP2964618A1

  公开（公告）日：2016-01-13