cyclo | 87282-39-1

• 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
• 英文名称: cyclo
• 英文别名: cyclo-(L-phenylalanyl-D-tryptophanyl-Nε-benzyloxycarbonyl-L-lysyl-L-threonyl-L-phenylalanyl-L-proline)；cyclo-[Phe-D-Trp-Lys(Cbz)-Thr-Phe-Pro]
• CAS: 87282-39-1
• 化学式: C₅₂H₆₀N₈O₉
• 分子量: 941.097
• InChiKey: BTMVOENACQUEOL-FWEHEKQCSA-N

物化性质

• 沸点：
  1287.7±65.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  69.0
• 可旋转键数：
  14.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  240.16
• 氢给体数：
  8.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  cyclo 在 palladium on carbon 、 氢气 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以70%的产率得到(5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-dibenzyl-8-((R)-1-hydroxy-ethyl)-14-(1H-indol-3-ylmethyl)-tetradecahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecene-4,7,10,13,16,19-hexaone
  参考文献：
  名称：

  Cyclic Peptide Synthesis with Thioacids

  摘要：

  C-Terminal amino acid 9-fluorenylmethylthioesters may be carried through Boc chemistry solution phase peptide synthesis sequences. After insertion of the final residue in the form of an Fmoc carbamate, treatment with piperidine releases a seco-peptide as a C-terminal thioacid that on treatment with Sangers reagent undergoes cyclization to a cyclic peptide. Cyclic penta- and hexapeptides have been synthesized in this manner, as has a cyclic glycopeptide. Functional group compatibility with alcohols and carboxylic acids is demonstrated.

  DOI：

  10.1021/ol101201w
• 作为产物：
  描述：

  在 2,4-二硝基氟苯 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.08h， 以12.7 mg的产率得到cyclo
  参考文献：
  名称：

  Cyclic Peptide Synthesis with Thioacids

  摘要：

  C-Terminal amino acid 9-fluorenylmethylthioesters may be carried through Boc chemistry solution phase peptide synthesis sequences. After insertion of the final residue in the form of an Fmoc carbamate, treatment with piperidine releases a seco-peptide as a C-terminal thioacid that on treatment with Sangers reagent undergoes cyclization to a cyclic peptide. Cyclic penta- and hexapeptides have been synthesized in this manner, as has a cyclic glycopeptide. Functional group compatibility with alcohols and carboxylic acids is demonstrated.

  DOI：

  10.1021/ol101201w