aspergillide B | 1423013-98-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: aspergillide B
• 英文别名: aspergillipeptide B；Aspergillipeptide B；(Z)-3-(4-hydroxyphenyl)-N-[(2R,3S,6S,9R,13S)-2,9,13-trimethyl-6-(2-methylpropyl)-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]prop-2-enamide
• CAS: 1423013-98-2
• 化学式: C₂₆H₃₆N₄O₇
• 分子量: 516.594
• InChiKey: GXKRFCOMAWYRAO-JNUWJWPNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  163
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  aspergillide B 、 N-A-(2,4-二硝基-5-氟苯基)-L-丙氨酸 在 盐酸 、 碳酸氢钠 作用下， 以 水 为溶剂， 反应 18.0h， 生成 D-Ala-FDAA 、 L-FDAA-L-Thr 、 L-DAA-L-Leu 、
  参考文献：
  名称：

  New cyclic tetrapeptides and asteltoxins from gorgonian-derived fungus Aspergillus sp. SCSGAF 0076

  摘要：

  Three new cyclic tetrapeptides, aspergillipeptides A-C (1-3), and one new asteltoxin B (4) were isolated from a culture broth of gorgonian-derived fungal strain Aspergillus sp. SCSGAF 0076. Their structures were elucidated by spectroscopic analysis, and the absolute configurations of aspergillipeptides A-C were determined by Marfey's method. Aspergillide C (3) showed strong antifouling activity against Bugula neritina larvae settlement with LC50/EC50>25. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.01.021

文献信息

• New cyclic tetrapeptides and asteltoxins from gorgonian-derived fungus Aspergillus sp. SCSGAF 0076
  作者：Jie Bao、Xiao-Yong Zhang、Xin-Ya Xu、Fei He、Xu-Hua Nong、Shu-Hua Qi

  DOI：10.1016/j.tet.2013.01.021

  日期：2013.3

  Three new cyclic tetrapeptides, aspergillipeptides A-C (1-3), and one new asteltoxin B (4) were isolated from a culture broth of gorgonian-derived fungal strain Aspergillus sp. SCSGAF 0076. Their structures were elucidated by spectroscopic analysis, and the absolute configurations of aspergillipeptides A-C were determined by Marfey's method. Aspergillide C (3) showed strong antifouling activity against Bugula neritina larvae settlement with LC50/EC50>25. (c) 2013 Elsevier Ltd. All rights reserved.