| 1384963-32-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1384963-32-9
• 化学式: C₆₂H₉₀N₈O₁₃Si₂
• 分子量: 1211.61
• InChiKey: HGFYAIXLPBARAY-AVBQMAHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  85.0
• 可旋转键数：
  24.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  244.04
• 氢给体数：
  5.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  N-叔丁氧羰基-L-丙氨酸 、 在 N-甲基吗啉 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以75%的产率得到
  参考文献：
  名称：

  Synthesis of pacidamycin analogues via an Ugi-multicomponent reaction

  摘要：

  The second-generation synthesis of 3'-hydroxypacidamycin D (2) has been accomplished via an Ugi-four component reaction at a late stage of the synthesis. This approach provided ready access to a range of analogues including diastereomers of the diaminobutylic acid residue and hybrid-type analogues of mureidomycins. Biological evaluations of these analogues indicated that the stereochemistry at the diaminobutylic acid residue has a crucial impact on both the MraY biochemical inhibition and whole-cell anti-bacterial activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.050
• 作为产物：
  描述：

  3-(benzyloxymethyl)-1-[(Z)-2,3-di-O-(tert-butyldimethylsilyl)-4,5-dehydro-5-isocyano-β-D-ribo-pentofuranosyl]uracil 在 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 50.33h， 生成
  参考文献：
  名称：

  Synthesis of pacidamycin analogues via an Ugi-multicomponent reaction

  摘要：

  The second-generation synthesis of 3'-hydroxypacidamycin D (2) has been accomplished via an Ugi-four component reaction at a late stage of the synthesis. This approach provided ready access to a range of analogues including diastereomers of the diaminobutylic acid residue and hybrid-type analogues of mureidomycins. Biological evaluations of these analogues indicated that the stereochemistry at the diaminobutylic acid residue has a crucial impact on both the MraY biochemical inhibition and whole-cell anti-bacterial activity. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.050