S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxydodecanethioate | 72059-49-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxydodecanethioate
• CAS: 72059-49-5
• 化学式: C₃₃H₅₈N₇O₁₈P₃S
• 分子量: 965.8
• InChiKey: IJFLXRCJWPKGKJ-XIRPNGCASA-N

物化性质

• 密度：
  1.65±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  62
• 可旋转键数：
  30
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  409
• 氢给体数：
  10
• 氢受体数：
  23

文献信息

• (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS
  申请人：Quemard Annaik

  公开号：US20100143940A1

  公开（公告）日：2010-06-10

  The invention relates to (3R)-hydroxyacyl-ACP dehydratase enzymes involved in the biosynthesis of mycolic acids, and to the use of same for screening antibiotics, medicaments that can be used to treat infections in humans or in animals, caused by Corynebacterineae , more specifically infections caused by pathogenic mycobacteria ( Mycobacterium tuberculosis, M. africanum, M. leprae, M. ulcerans, M. microti, M. bovis, M. abscissus, M. avium, M. fortuitum, M. kansasii . . . ), and infections caused by other genera such as Nocardia, Rhodococcus, Gordona . . .

  本发明涉及参与肌酸酰基载体脱水酶酶的生物合成的3R-羟基酰基-ACP脱水酶酶，以及将其用于筛选抗生素、治疗人类或动物感染的药物，这些感染是由科林氏杆菌科引起的，更具体地说是由致病性分枝杆菌（结核分枝杆菌、非洲结核分枝杆菌、麻风分枝杆菌、溃疡分枝杆菌、小鼠结核分枝杆菌、牛分枝杆菌、阿布西斯分枝杆菌、鸟分枝杆菌、偶然分枝杆菌、堪萨斯分枝杆菌等）和其他属（如诺卡氏菌、红球菌、戈多纳菌等）引起的感染。
• ENZYMES (3R)-HYDROXYACYL-ACP DESHYDRATASES IMPLIQUEES DANS LA BIOSYNTHESE DES ACIDES MYCOLIQUES ET LEUR UTILISATION POUR LE CRIBLAGE D'ANTIBIOTIQUES
  申请人：Centre National de la Recherche Scientifique

  公开号：EP2126068A2

  公开（公告）日：2009-12-02
• US9673030B2
  申请人：——

  公开号：US9673030B2

  公开（公告）日：2017-06-06
• [EN] (3R)-HYDROXYACYL-ACP DEHYDRATASE ENZYMES USED IN THE BIOSYNTHESIS OF MYCOLIC ACIDS AND USE OF SAME FOR SCREENING ANTIBIOTICS<br/>[FR] ENZYMES (3R)-HYDROXYACYL-ACP DESHYDRATASES IMPLIQUEES DANS LA BIOSYNTHESE DES ACIDES MYCOLIQUES ET LEUR UTILISATION POUR LE CRIBLAGE D'ANTIBIOTIQUES
  申请人：CENTRE NAT RECH SCIENT

  公开号：WO2008129146A2

  公开（公告）日：2008-10-30

  [EN] The invention relates to (3R)-hydroxyacyl-ACP dehydratase enzymes used in the biosynthesis of mycolic acids, and to the use of same for screening antibiotics, medicaments that can be used to treat infections in humans or in animals, caused by Corynebacterineae, more specifically infections caused by pathogenic mycobacteria (Mycobacterium tuberculosis, M. africanum, M. leprae, M. ulcerans, M. microti, M. bovis, M. abscissus, M. avium, M. fortuitum, M. kansasii...), and infections caused by other genres such as Nocardia, Rhodococcus, Gordona...
  [FR] Enzymes (3R)-hydroxyacyl-ACP déshydratases impliquées dans la biosynthèse des acides mycoliques et leur utilisation pour le criblage d'antibiotiques, médicaments susceptibles d'être utilisés pour traiter des infections chez l'homme ou chez l'animal, dues à des Corynebacterineae et plus particulièrement des infections dues à des mycobactéries pathogènes (Mycobacterium tuberculosis, M. africanum, M. leprae, M. ulcerans, M. microti, M. bovis, M. abscissus, M. avium, M. fortuitum, M. kansasii...) ainsi que des infections provoquées par d'autres genres tels que Nocardia, Rhodococcus, Gordona...