FR901469

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: FR901469
• 英文别名: Lipopeptidolactone FR901469；(3R)-3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-31-(3-aminopropyl)-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-propan-2-yl-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecazatricyclo[41.3.0.09,13]hexatetracontan-40-yl]-3-hydroxypropanamide
• 化学式: C₇₁H₁₁₆N₁₄O₂₃
• 分子量: 1533.78
• InChiKey: LTLDDYQPSWDOBJ-UNEDFBIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  108
• 可旋转键数：
  25
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  589
• 氢给体数：
  20
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  甲亚胺乙酯盐酸盐 、 FR901469 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以76%的产率得到(3R)-3-[(3S,6R,9S,11R,15S,18S,21R,24R,28R,31S,34R,40S,43S,44S)-31-[3-(aminomethylideneamino)propyl]-11,44-dihydroxy-3,6,24,34-tetrakis[(1R)-1-hydroxyethyl]-18-[(4-hydroxyphenyl)methyl]-21-methyl-2,5,8,14,17,20,23,26,30,33,36,39,42-tridecaoxo-15-propan-2-yl-28-tridecyl-29-oxa-1,4,7,13,16,19,22,25,32,35,38,41-dodecazatricyclo[41.3.0.09,13]hexatetracontan-40-yl]-3-hydroxypropanamide
  参考文献：
  名称：

  Novel Amidine Conjugates of the Ornithine Moiety of the Macrocyclic Antifungal Lipopeptidolactone FR901469.

  摘要：

  DOI：

  10.7164/antibiotics.54.844

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS<br/>[FR] COMPOSITIONS ET MÉTHODES POUR LE TRAITEMENT D'INFECTIONS FONGIQUES
  申请人：CIDARA THERAPEUTICS INC

  公开号：WO2015035102A2

  公开（公告）日：2015-03-12

  Compositions and methods for the treatment of fungal infections including compounds containing a pathogen pattern recognition receptor ligand and a β 1,3-glucan synthase inhibitor are disclosed. In particular, compounds containing a lipopeptide moiety and a formyl peptide receptor ligand can be used in the treatment of fungal infections caused by a fungus of the genus Aspergillus or Candida.
• Novel Amidine Conjugates of the Ornithine Moiety of the Macrocyclic Antifungal Lipopeptidolactone FR901469.
  作者：DAVID BARRETT、AKIRA TANAKA、ETSUKO WATABE、KATSUYUKI MAKI、FUMIAKI IKEDA

  DOI：10.7164/antibiotics.54.844

  日期：——