| 1310064-57-3

• 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: 1310064-57-3
• 化学式: C₂₁H₃₁N₃O₉S₂
• 分子量: 533.624
• InChiKey: UDNIZQRYHRNGSV-JEQPQISASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.76
• 重原子数：
  35.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  211.67
• 氢给体数：
  9.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 ammonium hydroxide 、 氧气 作用下， 以 甲醇 、 水 为溶剂， 反应 48.0h， 以8 mg的产率得到(2S)-N-[(2R)-1-amino-3-[[(2R)-3-amino-2-[[(2S)-3-(4-hydroxyphenyl)-2-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]propanoyl]amino]-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)-2-[3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpropanoylamino]propanamide
  参考文献：
  名称：

  Synthesis of glycopeptide dendrimers, dimerization and affinity for Concanavalin A

  摘要：

  We described herein the synthesis of second generation glycopeptide dendrimers G2a-g presenting variable amino acids placed internally into the multivalent scaffold. The effect of such structural modulation on recognition processes by Concanavalin A (Con A), was then estimated by enhanced-sensitivity Enzyme-Linked Lectin Assay (ELLA). In a complementary study, glycopeptide dendrons of different valencies and including a L-cysteine residue before the dendritic core (G0SH, G1SH and G2SH), were also synthesized and homodimerized. Then, the disulfide-containing glycopeptide dendrimers generated by this convergent approach (G0(2)S(2), G1(2)S(2) and G2(2)S(2)) were used as Con A inhibitors and assayed by ELLA. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.03.047