micropeptin MZ1019 | 1207348-78-4

• 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: micropeptin MZ1019
• 英文别名: [(2R)-1-[[(2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-bis[(2S)-butan-2-yl]-15-[3-(diaminomethylideneamino)propyl]-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-1-oxo-3-sulfooxypropan-2-yl] hydrogen sulfate
• CAS: 1207348-78-4
• 化学式: C₄₁H₆₅N₉O₁₇S₂
• 分子量: 1020.15
• InChiKey: ANMNVFNXQIABAK-WLQPTDKLSA-N

物化性质

• 密度：
  1.50±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  69
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  401
• 氢给体数：
  8
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  micropeptin MZ1019 在 盐酸 、 水 作用下， 反应 16.0h， 生成 D-甘油酸 、 L-精氨酸盐酸盐 、 N-甲基-L-苯丙氨酸盐酸盐 、 L-异亮氨酸盐酸盐 、 L-苏氨酸盐酸盐
  参考文献：
  名称：

  Micropeptins from an Israeli Fishpond Water Bloom of the Cyanobacterium Microcystis sp.

  摘要：

  Seven new natural products, micropeptin MZ845 (1) micropeptin MZ859 (2), micropeptin MZ939A (3), micropeptin MZ925 (4), micropeptin MZ939B (5), micropeptin MZ1019 (6), and micropeptin MZ771 (7), as well as two known micropeptins, cyanopeptolin S (8) and cyanopeptolin SS (9), were isolated from the hydrophilic extract of the cyanobacterium Microcystis sp. that was collected from a fishpond in Kibbutz Ma'ayan Tzvi, Israel, in July 2006. The structures of the pure natural products were elucidated using spectroscopic methods, including UV, 1D and 2D NMR, and MS techniques. The absolute configuration of the chiral centers of the compounds was determined using Marfey's method for HPLC. The inhibitory activity of the compounds was determined for the seine proteases: trypsin, chymotrypsin, thrombin, and elastase. These micropeptins inhibited trypsin with IC50's that varied between 0.6 and 24.2 mu M. The SAR of these micropeptins is discussed.

  DOI：

  10.1021/np900546u

文献信息

• Micropeptins from an Israeli Fishpond Water Bloom of the Cyanobacterium <i>Microcystis</i> sp.
  作者：Ella Zafrir、Shmuel Carmeli

  DOI：10.1021/np900546u

  日期：2010.3.26

  Seven new natural products, micropeptin MZ845 (1) micropeptin MZ859 (2), micropeptin MZ939A (3), micropeptin MZ925 (4), micropeptin MZ939B (5), micropeptin MZ1019 (6), and micropeptin MZ771 (7), as well as two known micropeptins, cyanopeptolin S (8) and cyanopeptolin SS (9), were isolated from the hydrophilic extract of the cyanobacterium Microcystis sp. that was collected from a fishpond in Kibbutz Ma'ayan Tzvi, Israel, in July 2006. The structures of the pure natural products were elucidated using spectroscopic methods, including UV, 1D and 2D NMR, and MS techniques. The absolute configuration of the chiral centers of the compounds was determined using Marfey's method for HPLC. The inhibitory activity of the compounds was determined for the seine proteases: trypsin, chymotrypsin, thrombin, and elastase. These micropeptins inhibited trypsin with IC50's that varied between 0.6 and 24.2 mu M. The SAR of these micropeptins is discussed.