| 949165-93-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 949165-93-9
• 化学式: C₄₄H₆₃N₅O₁₃
• 分子量: 870.01
• InChiKey: HBCPTMUFMNDBID-JSGDOJDWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.59
• 重原子数：
  62.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  211.32
• 氢给体数：
  1.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  在 甲醇 作用下， 以90%的产率得到quinoxalin-6-ylmethyl N-[[(1S,2R,5R,7R,8R,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,6,12,16-tetraoxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]methyl]carbamate
  参考文献：
  名称：

  Novel tethers in ketolide antibiotics

  摘要：

  Novel macrolide antibiotics which contain a methylerie unit between two nitrogen atoms of carbarnate groups or between two nitrogen atoms of one carbarnate and one urea group were synthesized using the Curtius rearrangement. Such linkers were shown to be stable under physiological conditions, and the resulting ketolides show potent in vitro and in vivo activity against macrolide-resistant respiratory pathogens. The SAR of various heterocycles and linkers was established. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.018
• 作为产物：
  描述：

  、 (喹噁啉-6-基)甲醇 生成
  参考文献：
  名称：

  Novel tethers in ketolide antibiotics

  摘要：

  Novel macrolide antibiotics which contain a methylerie unit between two nitrogen atoms of carbarnate groups or between two nitrogen atoms of one carbarnate and one urea group were synthesized using the Curtius rearrangement. Such linkers were shown to be stable under physiological conditions, and the resulting ketolides show potent in vitro and in vivo activity against macrolide-resistant respiratory pathogens. The SAR of various heterocycles and linkers was established. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.018