sclerotide B | 1191925-21-9

• 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: sclerotide B
• 英文别名: cyclo (L-Thr-L-Ala-D-Phe-D-Ser-AA-E-Δ-Trp)；(4E,7S,10S,13R,16R)-13-benzyl-7-[(1R)-1-hydroxyethyl]-16-(hydroxymethyl)-4-(1H-indol-3-ylmethylidene)-10-methyl-2,5,8,11,14,17-hexazabicyclo[17.4.0]tricosa-1(23),19,21-triene-3,6,9,12,15,18-hexone
• CAS: 1191925-21-9
• 化学式: C₃₇H₃₉N₇O₈
• 分子量: 709.759
• InChiKey: NDYHVWGWXSGACG-BMFOEZNISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  52
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  231
• 氢给体数：
  9
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  sclerotide B 以 二甲基亚砜 为溶剂， 反应 240.0h， 生成 sclerotide A
  参考文献：
  名称：

  Novel Cyclic Hexapeptides from Marine-Derived Fungus, Aspergillus sclerotiorum PT06-1

  摘要：

  Two novel cyclic hexapeptides containing both anthranilic acid and dehydroamino acid units, sclerotides A (1) and B (2), were isolated from the marine-derived halotolerant Aspergillus sclerotiorum PT06-1 in a nutrient-limited hypersaline medium. Both 1 and 2 are photointerconvertible and could be interconverted via a radical reaction Initiated by direct photoisomerization. Both compounds showed moderate antifungal activity. Compound 2 also showed weak cytotoxicity and antibacterial activity.

  DOI：

  10.1021/ol902197z
• 作为产物：
  描述：

  sclerotide A 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 sclerotide B
  参考文献：
  名称：

  Novel Cyclic Hexapeptides from Marine-Derived Fungus, Aspergillus sclerotiorum PT06-1

  摘要：

  Two novel cyclic hexapeptides containing both anthranilic acid and dehydroamino acid units, sclerotides A (1) and B (2), were isolated from the marine-derived halotolerant Aspergillus sclerotiorum PT06-1 in a nutrient-limited hypersaline medium. Both 1 and 2 are photointerconvertible and could be interconverted via a radical reaction Initiated by direct photoisomerization. Both compounds showed moderate antifungal activity. Compound 2 also showed weak cytotoxicity and antibacterial activity.

  DOI：

  10.1021/ol902197z

文献信息

• Novel Cyclic Hexapeptides from Marine-Derived Fungus, Aspergillus sclerotiorum PT06-1
  作者：Jinkai Zheng、Huajie Zhu、Kui Hong、Yi Wang、Peipei Liu、Xin Wang、Xiaoping Peng、Weiming Zhu

  DOI：10.1021/ol902197z

  日期：2009.11.19

  Two novel cyclic hexapeptides containing both anthranilic acid and dehydroamino acid units, sclerotides A (1) and B (2), were isolated from the marine-derived halotolerant Aspergillus sclerotiorum PT06-1 in a nutrient-limited hypersaline medium. Both 1 and 2 are photointerconvertible and could be interconverted via a radical reaction Initiated by direct photoisomerization. Both compounds showed moderate antifungal activity. Compound 2 also showed weak cytotoxicity and antibacterial activity.