perthamide C

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: perthamide C
• 英文别名: (2S)-2-[(3S,6R,12E,19S,22S,25S,27S)-19-(2-amino-2-oxoethyl)-12-ethylidene-15-hydroxy-22-[(2-hydroxyphenyl)methyl]-3-[(1R)-1-methoxyethyl]-10,27-dimethyl-16-(3-methylbutyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-6-yl]-2-hydroxyacetamide
• 化学式: C₄₃H₆₄N₁₀O₁₄
• 分子量: 945.04
• InChiKey: KZONQJQYKIQDTR-XNGZEDHJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  67
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  371
• 氢给体数：
  11
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  FDAA 、 perthamide C 在 盐酸 、 水 、 三乙胺 作用下， 以 丙酮 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Perthamides C and D, two new potent anti-inflammatory cyclopeptides from a Solomon Lithistid sponge Theonella swinhoei

  摘要：

  Two new metabolites, perthamides C and D, have been isolated from the marine sponge Theonella swinhoei. Their structures were determined by interpretation of NMR and ESIMS data. All compounds exhibited in vivo potent anti-inflammatory activity. Biological activity and structural elucidation are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.026

文献信息

• Perthamides C and D, two new potent anti-inflammatory cyclopeptides from a Solomon Lithistid sponge Theonella swinhoei
  作者：Carmen Festa、Simona De Marino、Valentina Sepe、Maria Chiara Monti、Paolo Luciano、Maria Valeria D'Auria、Cecile Débitus、Mariarosaria Bucci、Valentina Vellecco、Angela Zampella

  DOI：10.1016/j.tet.2009.10.026

  日期：2009.12

  Two new metabolites, perthamides C and D, have been isolated from the marine sponge Theonella swinhoei. Their structures were determined by interpretation of NMR and ESIMS data. All compounds exhibited in vivo potent anti-inflammatory activity. Biological activity and structural elucidation are reported. (C) 2009 Elsevier Ltd. All rights reserved.