(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-10-(2-aminoethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one | 134833-89-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-10-(2-aminoethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
• CAS: 134833-89-9
• 化学式: C₃₉H₇₃N₃O₁₃
• 分子量: 792.021
• InChiKey: QWBZLBDIVISYIC-XMWVFPRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  224
• 氢给体数：
  6
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-10-(2-aminoethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one 在 氟化氢吡啶 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-[2-[(E)-[(2R,3S,4R,5S,7R,9R,10R,11S,12S,13R)-10-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,9-trihydroxy-12-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-14-oxo-oxacyclotetradec-6-ylidene]amino]oxyethyl]-3-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]urea
  参考文献：
  名称：

  Clarithromycin–adenine and related conjugates

  摘要：

  Macrolide-nucleoside and macrolide-nucleobase conjugates (chimeras) have been synthesised by linking erythromycin A oxime derivatives and clarithromycin C11,C12-oxazolidinone derivatives with 3'-amino-3'-deoxythymidine or adenine through different spacers; clarithromycin-adenine conjugate 16a is the most active species against Micrococcus luteus. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.079
• 作为产物：
  描述：

  红霉素A肟 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 24.0h， 生成 (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-10-(2-aminoethoxyimino)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
  参考文献：
  名称：

  Clarithromycin–adenine and related conjugates

  摘要：

  Macrolide-nucleoside and macrolide-nucleobase conjugates (chimeras) have been synthesised by linking erythromycin A oxime derivatives and clarithromycin C11,C12-oxazolidinone derivatives with 3'-amino-3'-deoxythymidine or adenine through different spacers; clarithromycin-adenine conjugate 16a is the most active species against Micrococcus luteus. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.01.079

文献信息

• Clarithromycin–adenine and related conjugates
  作者：Jorge Esteban、Anna M. Costa、M. Carmen Cruzado、Montserrat Faja、Pilar García、Jaume Vilarrasa

  DOI：10.1016/j.tetlet.2006.01.079

  日期：2006.3

  Macrolide-nucleoside and macrolide-nucleobase conjugates (chimeras) have been synthesised by linking erythromycin A oxime derivatives and clarithromycin C11,C12-oxazolidinone derivatives with 3'-amino-3'-deoxythymidine or adenine through different spacers; clarithromycin-adenine conjugate 16a is the most active species against Micrococcus luteus. (c) 2006 Elsevier Ltd. All rights reserved.