(2S,3R,4S,6R)-4-(dimethylamino)-2-((6R,9R,11R,12R,13R,15R,17R,18R)-6-ethyl-18-hydroxy-13-methoxy-9,11,13,15,17-pentamethyl-8,10,16-trioxo-7-oxa-2,3-diazaspiro[4.13]octadec-1-en-12-yloxy)-6-methyltetrahydro-2H-pyran-3-yl benzoate | 1261067-86-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S,3R,4S,6R)-4-(dimethylamino)-2-((6R,9R,11R,12R,13R,15R,17R,18R)-6-ethyl-18-hydroxy-13-methoxy-9,11,13,15,17-pentamethyl-8,10,16-trioxo-7-oxa-2,3-diazaspiro[4.13]octadec-1-en-12-yloxy)-6-methyltetrahydro-2H-pyran-3-yl benzoate
• 英文别名: (6R,9R,11R,12R,13R,15R,17R,18R)-12-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-6-ethyl-18-hydroxy-13-methoxy-9,11,13,15,17-pentamethyl-7-oxa-2,3-diazaspiro[4.13]octadec-3-ene-8,10,16-trione
• CAS: 1261067-86-0
• 化学式: C₃₁H₅₃N₃O₉
• 分子量: 611.777
• InChiKey: DFCOQPGQINZFIY-IZERVFBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  43
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  156
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  在 甲醇 作用下， 反应 15.0h， 以0.2 g的产率得到(2S,3R,4S,6R)-4-(dimethylamino)-2-((6R,9R,11R,12R,13R,15R,17R,18R)-6-ethyl-18-hydroxy-13-methoxy-9,11,13,15,17-pentamethyl-8,10,16-trioxo-7-oxa-2,3-diazaspiro[4.13]octadec-1-en-12-yloxy)-6-methyltetrahydro-2H-pyran-3-yl benzoate
  参考文献：
  名称：

  Synthesis and antibacterial activity of C-12 pyrazolinyl spiro ketolides

  摘要：

  A series of C-12 pyrazolinyl Spiro ketolide derivatives were designed and synthesized. The C-12 modifications involved replacing the natural C-12 methyl group in clarithromycin core with different pyrazolinyl spiros via chemical synthesis. Potential anti-bacterial activities against both erythromycin-susceptible and erythromycin-resistant bacteria were reported. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.09.060