[(2R,3R,4S,5S)-3-acetyloxy-5-(dimethoxyphosphorylamino)-2-phosphonooxyoxan-4-yl] acetate;N,N-diethylethanamine | 1017964-92-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磷酸及其衍生物
• 英文名称: [(2R,3R,4S,5S)-3-acetyloxy-5-(dimethoxyphosphorylamino)-2-phosphonooxyoxan-4-yl] acetate;N,N-diethylethanamine
• CAS: 1017964-92-9
• 化学式: C₆H₁₅N*C₁₁H₂₁NO₁₂P₂
• 分子量: 522.427
• InChiKey: MCMLCGYGIIEBFJ-PPEDPUOKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  183
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  [(2R,3R,4S,5S)-3-acetyloxy-5-(dimethoxyphosphorylamino)-2-phosphonooxyoxan-4-yl] acetate;N,N-diethylethanamine 、 uridine 5'-monophosphate morpholidate 在 吡啶 、 四氮唑 作用下， 生成
  参考文献：
  名称：

  Synthesis of and evaluation of lipid A modification by 4-substituted 4-deoxy arabinose analogs as potential inhibitors of bacterial polymyxin resistance

  摘要：

  Three sets of novel 4-deoxy-L-arabinose analogs were synthesized and evaluated as potential inhibitors of the bacterial resistance mechanism in which lipid A, on the outer membrane, is modified with 4-amino-4-deoxy-L-arabinose (L-Ara4N). One compound diminished the transfer of L-Ara4N onto lipid A. These results suggest that small molecules might be designed that would effect the same reversal of bacterial resistance observed in genetic knockouts. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.12.061

文献信息

• Synthesis of and evaluation of lipid A modification by 4-substituted 4-deoxy arabinose analogs as potential inhibitors of bacterial polymyxin resistance
  作者：T. Kline、M.S. Trent、C.M. Stead、M.S. Lee、M.C. Sousa、H.B. Felise、H.V. Nguyen、S.I. Miller

  DOI：10.1016/j.bmcl.2007.12.061

  日期：2008.2

  Three sets of novel 4-deoxy-L-arabinose analogs were synthesized and evaluated as potential inhibitors of the bacterial resistance mechanism in which lipid A, on the outer membrane, is modified with 4-amino-4-deoxy-L-arabinose (L-Ara4N). One compound diminished the transfer of L-Ara4N onto lipid A. These results suggest that small molecules might be designed that would effect the same reversal of bacterial resistance observed in genetic knockouts. (c) 2007 Elsevier Ltd. All rights reserved.