| 490040-44-3

• 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: 490040-44-3
• 化学式: C₅₅H₉₂N₁₀O₁₈
• 分子量: 1181.39
• InChiKey: FMTIEZQSQIJOTF-BJKOEGOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  83.0
• 可旋转键数：
  36.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  341.77
• 氢给体数：
  4.0
• 氢受体数：
  19.0

反应信息

• 作为产物：
  描述：

  N-isobutylGly-OMe 在 palladium on activated charcoal 盐酸 、 N-羟基-7-氮杂苯并三氮唑 、 TEA 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 生成
  参考文献：
  名称：

  Collagen Mimetic Dendrimers

  摘要：

  The synthesis of single-chain, scaffold (TRIS)- and dendrimer-assembled collagen mimetics (both Gly-Pro-Nleu and Gly-Nleu-Pro sequences) is reported. From the CD spectra and the thermal denaturation studies it can be readily seen that mimetics prepared from the Gly-Nleu-Pro sequence form more thermally stable triple helices than the Gly-Pro-Nleu sequence. Furthermore, the 162-residue collagen mimetic dendrimers exhibit enhanced triple helical stability compared to equivalent scaffold-terminated structures by a substantial increase in the melting temperature in H2O and 2:1 EG/H2O. The concentration dependence for the melting transition was measured which determined that the stabilization effect arises from the intramolecular clustering of the triple helical arrays about the core structure. This ensemble excludes solvent from the interior portion of the array which stabilizes the triple helical bundle.

  DOI：

  10.1021/ja021203l