[Man(CH2)2C(O)NH(CH2)3OCH2]3CNHC(O)(CH2)2C(O)NH(CH2)6NHC(O)(CH2)3-2-pyrene | 1254963-34-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: [Man(CH2)2C(O)NH(CH2)3OCH2]3CNHC(O)(CH2)2C(O)NH(CH2)6NHC(O)(CH2)3-2-pyrene
• 英文别名: N'-[1,3-bis[3-[3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoylamino]propoxy]-2-[3-[3-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]propanoylamino]propoxymethyl]propan-2-yl]-N-[6-(4-pyren-1-ylbutanoylamino)hexyl]butanediamide
• CAS: 1254963-34-2
• 化学式: C₇₀H₁₀₆N₆O₂₄
• 分子量: 1415.64
• InChiKey: SGBOLEROCINPKR-KWYKLPBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  100
• 可旋转键数：
  45
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  473
• 氢给体数：
  18
• 氢受体数：
  24

反应信息

• 作为产物：
  描述：

  、 perfluorophenyl 4-(pyren-1-yl)butanoate 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以5.2 mg的产率得到[Man(CH2)2C(O)NH(CH2)3OCH2]3CNHC(O)(CH2)2C(O)NH(CH2)6NHC(O)(CH2)3-2-pyrene
  参考文献：
  名称：

  Adaptable Synthesis of C-Glycosidic Multivalent Carbohydrates and Succinamide-Linked Derivatization

  摘要：

  A modular approach to the synthesis of trivalent C-glycosidic carbohydrates is described. The approach is illustrated employing carboxylate-terminated C-glycosidic D-mannose, D-glucose, and D-galactose derivatives with different length C1-linked spacer units and also core units with different length linker units attached. The central core scaffold is additionally functionalized via a succinamide-based, conjugatable linker unit, exemplified in an extended multivalent derivative [31] and a pyrene-bearing fluorsecent-labeled tris-C-mannosyl conjugate [33].

  DOI：

  10.1021/ol102310x

文献信息

• Adaptable Synthesis of <i>C</i>-Glycosidic Multivalent Carbohydrates and Succinamide-Linked Derivatization
  作者：Gavin J. Miller、John M. Gardiner

  DOI：10.1021/ol102310x

  日期：2010.11.19

  A modular approach to the synthesis of trivalent C-glycosidic carbohydrates is described. The approach is illustrated employing carboxylate-terminated C-glycosidic D-mannose, D-glucose, and D-galactose derivatives with different length C1-linked spacer units and also core units with different length linker units attached. The central core scaffold is additionally functionalized via a succinamide-based, conjugatable linker unit, exemplified in an extended multivalent derivative [31] and a pyrene-bearing fluorsecent-labeled tris-C-mannosyl conjugate [33].