anabaenopeptin MM850 | 1259395-31-7

• 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: anabaenopeptin MM850
• 英文别名: methyl (2S)-2-[[(3S,6S,9S,12S,15R)-3-benzyl-9-[2-(4-hydroxyphenyl)ethyl]-6,7-dimethyl-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-5-(diaminomethylideneamino)pentanoate
• CAS: 1259395-31-7
• 化学式: C₄₂H₆₂N₁₀O₉
• 分子量: 851.016
• InChiKey: GNKSRNVMNRVEML-NCUXDPMLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  61
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  289
• 氢给体数：
  9
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  anabaenopeptin MM850 、 N-A-(2,4-二硝基-5-氟苯基)-L-丙氨酸 在 盐酸 、 水 、 碳酸氢钠 作用下， 以 丙酮 为溶剂， 反应 18.0h， 生成 (5-(((S)-1-amino-1-oxopropan-2-yl)amino)-2,4-dinitrophenyl)-D-lysine 、 (5-(((S)-1-amino-1-oxopropan-2-yl)amino)-2,4-dinitrophenyl)-L-arginine 、 L-Phe-L-FDAA 、 L-FDAA-L-N-methylalanine 、 、 (S)-2-(5-((S)-1-amino-1-oxopropan-2-ylamino)-2,4-dinitrophenylamino)-3-methylbutanoic acid
  参考文献：
  名称：

  Eight novel serine proteases inhibitors from a water bloom of the cyanobacterium Microcystis sp.

  摘要：

  Eight new secondary metabolites micropeptin MM836 (1) micropeptin MM850 (2) micropeptin MM916 (3) micropeptin MM932 (4) micropeptin MM978 (5) anabaenopeptin MM823 (6) anabaenopeptin MM850 (7) and anabaenopeptin MM913 (8) as well as the known anabaenopeptin B (9) were isolated from the hydrophilic extract of the cyanobacterium Microcystis sp that was collected from a fishpond in Kibbutz Ma agan Michael Israel in September 2006 The structure of the pure natural products was established by spectroscopic methods including 1D and 2D NMR, UV and MS techniques The absolute configuration of the chiral centers of the compounds was determined using Marfey s method The inhibitory activity of the compounds was determined against the serine proteases trypsin chymotrypsin thrombin and elastase (C) 2010 Elsevier Ltd All rights reserved

  DOI：

  10.1016/j.tet.2010.09.067