allyl 2-O-benzyl-β-D-xylopyranoside | 172795-18-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: allyl 2-O-benzyl-β-D-xylopyranoside
• CAS: 172795-18-5
• 化学式: C₁₅H₂₀O₅
• 分子量: 280.321
• InChiKey: JPKKBFLWQJIREO-LXTVHRRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  68.15
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  allyl 2-O-benzyl-β-D-xylopyranoside 在 吡啶 、 sodium hydroxide 、 9-borabicyclo[3.3.1]nonane dimer 、 双氧水 作用下， 反应 1.5h， 生成 (3R,4S,5R,6R)-5-Benzyloxy-6-(3-hydroxy-propoxy)-tetrahydro-pyran-3,4-diol
  参考文献：
  名称：

  Synthesis and biological activities of inositol 1,4,5-trisphosphate mimics related to xylopyranosides

  摘要：

  2', 3, 4-trisphosphates of (2-hydroxyethyl) alpha- and beta-D-xylopyranosides and 3', 3, 4-trisphosphates of (3-hydroxypropyl) alpha- and beta-D-xylopyranosides have been prepared from allyl-D-xylosides and showed agonistic properties toward inositol 1, 4, 5-trisphosphate receptor.

  DOI：

  10.1016/0040-4039(95)01677-a
• 作为产物：
  描述：

  1-O-allyl-D-xylose 在 吡啶 、 sodium methylate 、 二正丁基氧化锡 作用下， 以 甲醇 为溶剂， 生成 allyl 2-O-benzyl-β-D-xylopyranoside
  参考文献：
  名称：

  Synthesis and biological activities of inositol 1,4,5-trisphosphate mimics related to xylopyranosides

  摘要：

  2', 3, 4-trisphosphates of (2-hydroxyethyl) alpha- and beta-D-xylopyranosides and 3', 3, 4-trisphosphates of (3-hydroxypropyl) alpha- and beta-D-xylopyranosides have been prepared from allyl-D-xylosides and showed agonistic properties toward inositol 1, 4, 5-trisphosphate receptor.

  DOI：

  10.1016/0040-4039(95)01677-a

文献信息

• Design, synthesis and preliminary biological evaluation of a focused combinatorial library of stereodiverse carbohydrate-scaffold-based peptidomimetics
  作者：Nicolas Moitessier、Sylvie Dufour、Françoise Chrétien、Jean Paul Thiery、Bernard Maigret、Yves Chapleur

  DOI：10.1016/s0968-0896(00)00256-x

  日期：2001.2

  A focused combinatorial library of 126 mimetics of the RGD sequence based on sugar scaffolds have been rationally constructed using molecular modeling, with a particular emphasis on the stereodiversity of the library. A liquid phase, mix and divide synthesis was used, active compounds being identified by using orthogonal libraries and recursive deconvolution strategies.

  已使用分子模型合理构建了基于糖支架的RGD序列的126个模拟物的聚焦组合文库，并特别强调了该文库的立体多样性。使用液相，混合和分开合成，通过使用正交文库和递归解卷积策略鉴定活性化合物。