| 869317-76-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 869317-76-0
• 化学式: C₅₃H₆₈N₂O₁₈S
• 分子量: 1053.19
• InChiKey: JKCGTYTYLVLEQG-UDVDKANDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.24
• 重原子数：
  74.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  236.62
• 氢给体数：
  0.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  、 聚合甲醛 在 palladium dihydroxide acetate buffer 、 氢气 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 以80%的产率得到(3R,5R,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-10-hydroxyimino-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,4-dione
  参考文献：
  名称：

  9-Oxime-3-ketolides: Modification at the C-11,12-diol moiety and antibacterial activities against key respiratory pathogens

  摘要：

  In the search for new types of ketolide antibiotics active against key respiratory pathogens including erythromycin-resistant strains, we conducted an extensive study on the modification at the C-11,12-diol moiety of 9-oxime-3-ketolide derivatives. Among the derivatives prepared, compound 6 with carbonate at the C-11, 12 position was found to have potent antibacterial activities against erythromycin-resistant Staphylococcus aureus as well as other erythromycin-susceptible strains. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.06.003
• 作为产物：
  描述：

  carbonic acid 2-(10-allyloxyimino-14-ethyl-4,12,13-trihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2-oxo-oxacyclotetradec-6-yloxy)-4-(benzyloxycarbonyl-methyl-amino)-6-methyl-tetrahydro-pyran-3-yl ester benzyl ester 在 palladium diacetate 吡啶 、 ruthenium trichloride 、 sodium periodate 、 甲酸 、 氯化亚砜 、 碳酸氢钠 、 二甲基亚砜 、 三乙胺 、 三苯基膦 、 三氟乙酸酐 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 四氯化碳 、 乙醇 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 5.5h， 生成
  参考文献：
  名称：

  9-Oxime-3-ketolides: Modification at the C-11,12-diol moiety and antibacterial activities against key respiratory pathogens

  摘要：

  In the search for new types of ketolide antibiotics active against key respiratory pathogens including erythromycin-resistant strains, we conducted an extensive study on the modification at the C-11,12-diol moiety of 9-oxime-3-ketolide derivatives. Among the derivatives prepared, compound 6 with carbonate at the C-11, 12 position was found to have potent antibacterial activities against erythromycin-resistant Staphylococcus aureus as well as other erythromycin-susceptible strains. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.06.003