N-deacetylshermilamine B | 879410-99-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-deacetylshermilamine B
• 英文别名: 20-(2-aminoethyl)-18-thia-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),10,12,14(19)-octaen-16-one
• CAS: 879410-99-8
• 化学式: C₁₉H₁₆N₄OS
• 分子量: 348.428
• InChiKey: LHOMOJRZMZIBEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-deacetylshermilamine B 、 三氟乙酸 以 甲醇 、 水 为溶剂， 生成 N-deacetylshermilamine B trifluoroacetate salt
  参考文献：
  名称：

  Structures and Antimicrobial Activities of Pyridoacridine Alkaloids Isolated from Different Chromotypes of the Ascidian Cystodytes dellechiajei

  摘要：

  Three new pentacyclic alkaloids were isolated from different chromotypes of the western Mediterranean ascidian Cystodytes dellechiajei. The purple color morph collected in Catalonia contained the known compounds kuanoniamine D (1), shermilamine B (2), N-deacetylkuanoniamine (3), and styelsamine C (4) and a new alkaloid named N-deacetylshermilamine B (5). The green color morph collected in the Balearic Islands contained the known compounds 11-hydroxyascididemin (6) and 8,9-dihydro-11-hydroxyascididemin (7) and two new alkaloids named cystodimine A (8) and cystodimine B (9). The blue color morph collected in Catalonia yielded the known compound ascididemin (10). The structures of all compounds were elucidated on the basis of spectroscopic data, mainly 1D and 2D NMR data. The antimicrobial potential of the pyridoacridine alkaloids isolated from each color morph was evaluated and compared.

  DOI：

  10.1021/np900751k
• 作为产物：
  描述：

  N-[2-(8,11,12,13-四氢-12-氧代吡啶并[4,3,2-mn][1,4]噻嗪并[3,2-b]吖啶-9-基)乙基]-乙酰胺 在 盐酸 、 水 作用下， 反应 5.0h， 生成 N-deacetylshermilamine B
  参考文献：
  名称：

  Structures and Antimicrobial Activities of Pyridoacridine Alkaloids Isolated from Different Chromotypes of the Ascidian Cystodytes dellechiajei

  摘要：

  Three new pentacyclic alkaloids were isolated from different chromotypes of the western Mediterranean ascidian Cystodytes dellechiajei. The purple color morph collected in Catalonia contained the known compounds kuanoniamine D (1), shermilamine B (2), N-deacetylkuanoniamine (3), and styelsamine C (4) and a new alkaloid named N-deacetylshermilamine B (5). The green color morph collected in the Balearic Islands contained the known compounds 11-hydroxyascididemin (6) and 8,9-dihydro-11-hydroxyascididemin (7) and two new alkaloids named cystodimine A (8) and cystodimine B (9). The blue color morph collected in Catalonia yielded the known compound ascididemin (10). The structures of all compounds were elucidated on the basis of spectroscopic data, mainly 1D and 2D NMR data. The antimicrobial potential of the pyridoacridine alkaloids isolated from each color morph was evaluated and compared.

  DOI：

  10.1021/np900751k

文献信息

• Structures and Antimicrobial Activities of Pyridoacridine Alkaloids Isolated from Different Chromotypes of the Ascidian <i>Cystodytes dellechiajei</i>
  作者：N. Bontemps、D. Bry、S. López-Legentil、A. Simon-Levert、C. Long、B. Banaigs

  DOI：10.1021/np900751k

  日期：2010.6.25

  Three new pentacyclic alkaloids were isolated from different chromotypes of the western Mediterranean ascidian Cystodytes dellechiajei. The purple color morph collected in Catalonia contained the known compounds kuanoniamine D (1), shermilamine B (2), N-deacetylkuanoniamine (3), and styelsamine C (4) and a new alkaloid named N-deacetylshermilamine B (5). The green color morph collected in the Balearic Islands contained the known compounds 11-hydroxyascididemin (6) and 8,9-dihydro-11-hydroxyascididemin (7) and two new alkaloids named cystodimine A (8) and cystodimine B (9). The blue color morph collected in Catalonia yielded the known compound ascididemin (10). The structures of all compounds were elucidated on the basis of spectroscopic data, mainly 1D and 2D NMR data. The antimicrobial potential of the pyridoacridine alkaloids isolated from each color morph was evaluated and compared.