[(2R)-3-methyl-1-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutan-2-yl]oxy-1-oxobutan-2-yl] (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-pyridin-3-ylpentanoate

• 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)-3-methyl-1-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutan-2-yl]oxy-1-oxobutan-2-yl] (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-pyridin-3-ylpentanoate
• 化学式: C₄₅H₅₅N₃O₉
• 分子量: 781.9
• InChiKey: NRIXYAJFCCOXAT-ORTTYPEUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  57
• 可旋转键数：
  24
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  154
• 氢给体数：
  2
• 氢受体数：
  11

文献信息

• [EN] PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY<br/>[FR] COMPOSÉS À BASE DE PYRIDOMYCINE AYANT UNE ACTIVITÉ ANTITUBERCULEUSE
  申请人：ETH ZUERICH

  公开号：WO2014040709A1

  公开（公告）日：2014-03-20

  The present invention relates to a compound of formula (1) wherein X1 represents O or NR6, X2 represents O or NR6, X3 represents O or NR1, R1 represents H or C1 to C3 alkyl, R2 represents H, or a linear or branched C1 - C8 alkyl optionally comprising one or more heteroatoms, cyclopropyl, cyclobutyl, cyclohexyl or oxetanyl or an amino acid side chain or a protected amino acid side chain, or R1 and R2 may form together a 5 or 6 membered ring system which may be saturated, partly saturated or unsaturated, said ring system being optionally substituted, R3 represents H, cyclopentyl, cyclohexyl, aryl or hydroxyaryl, said aryl or hydroxyaryl being optionally substituted by fluorine, or linear or branched C1 to C8 alkyl optionally comprising a hetero atom, R4 represents phenyl or 5- or 6-membered heterocycles comprising one or more nitrogen or oxygen atoms optionally substituted with 1 to 4, respectively 5 fluorine atoms, and R6 represents H, or a linear or branched alkyl chain having 1 to 3 carbon atoms their use as a medicament for the treatment of bacterial infections, in particular for treatment of tuberculosis.