| 1404058-84-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1404058-84-9
• 化学式: C₆₂H₆₀NO₉P
• 分子量: 994.133
• InChiKey: YTYXRAPXDKOIOH-KOTNGOKMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.98
• 重原子数：
  73.0
• 可旋转键数：
  24.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  101.99
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 甲胺 作用下， 以 乙醇 为溶剂， 反应 0.33h， 以92%的产率得到dibenzyl [(S)-hydroxy[(2S,3S,4R,5R,6R)-3,4,6-tris(benzyloxy)-5-(dibenzylamino)oxan-2-yl]methyl]phosphonate
  参考文献：
  名称：

  Synthesis and evaluation of glucosamine-6-phosphate analogues as activators of glmS riboswitch

  摘要：

  The glmS riboswitch is a ribozyme found in numerous Gram-positive bacteria and responds to the cellular concentrations of glucosamine 6-phosphate (GlcN6P). Given the importance of GlcN6P for cell wall biosynthesis, the glmS riboswitch has become a new drug target for the development of antibiotics. Herein, we describe the efficient synthesis of three GlcN6P analogues and their evaluation on inducing self-cleavage of the glmS riboswitch from Bacillus subtilis. Our results provide valuable information for further elucidation of the structure activity relationships and drug design for glmS riboswitch antibiotics. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.015
• 作为产物：
  描述：

  ((2S,3S,4R,5R,6R)-3,4,6-tribenzyloxy-5(dibenzylamino)tetrahydro-2H-pyran-2-yl)methyl benzoate 、 苯甲酰氯 在 三乙胺 作用下， 反应 15.0h， 以79 mg的产率得到
  参考文献：
  名称：

  Synthesis and evaluation of glucosamine-6-phosphate analogues as activators of glmS riboswitch

  摘要：

  The glmS riboswitch is a ribozyme found in numerous Gram-positive bacteria and responds to the cellular concentrations of glucosamine 6-phosphate (GlcN6P). Given the importance of GlcN6P for cell wall biosynthesis, the glmS riboswitch has become a new drug target for the development of antibiotics. Herein, we describe the efficient synthesis of three GlcN6P analogues and their evaluation on inducing self-cleavage of the glmS riboswitch from Bacillus subtilis. Our results provide valuable information for further elucidation of the structure activity relationships and drug design for glmS riboswitch antibiotics. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.09.015