12,25-Dimethyl-2,9,11,13,15,22,24,26,27,28-decazatricyclo[21.3.1.110,14]octacosa-1(27),10(28),11,13,23,25-hexaene-3,8,16,21-tetrone | 1401592-24-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 12,25-Dimethyl-2,9,11,13,15,22,24,26,27,28-decazatricyclo[21.3.1.110,14]octacosa-1(27),10(28),11,13,23,25-hexaene-3,8,16,21-tetrone
• 英文别名: 12,25-dimethyl-2,9,11,13,15,22,24,26,27,28-decazatricyclo[21.3.1.110,14]octacosa-1(27),10(28),11,13,23,25-hexaene-3,8,16,21-tetrone
• CAS: 1401592-24-2
• 化学式: C₂₀H₂₆N₁₀O₄
• 分子量: 470.491
• InChiKey: WVHGAWPNLAUZSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  194
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2,4-二氨基-6-甲基-1,3,5-三嗪 、 己二酸 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 以78%的产率得到12,25-Dimethyl-2,9,11,13,15,22,24,26,27,28-decazatricyclo[21.3.1.110,14]octacosa-1(27),10(28),11,13,23,25-hexaene-3,8,16,21-tetrone
  参考文献：
  名称：

  Synthesis, structural aspects, and antimicrobial activity investigation of novel macrocyclic amide-containing compounds

  摘要：

  Macrocyclic 1(6),7(6)-dimethyl-1,7(2,4)-ditriazina-2,6,8,12-tetraaza-3,5,9,11-tetraoxocyclododecaphane, 1(6),8(6)-dimethyl-1,8(2,4)-ditriazina-2,7,9,14-tetraaza-3,6,10,13-tetraoxocyclotetradecaphane, 1(6),9(6)-dimethyl-1,9(2,4)-ditriazina-2,8,10,16-tetraaza-3,7,11,15-tetraoxocyclohexadecaphane, and 1(6),10(6)-dimethyl-1,10(2,4)-ditriazina-2,9,11,18-tetraaza-3,8,12,17-tetraoxocyclooctadecaphane are synthesized. The compounds are characterized by elemental analyses, Raman, IR, H-1, C-13 NMR and mass spectral data. The antimicrobial activities of the compounds are evaluated against several bacteria and yeast cultures and the results were compared with those of commercial antibiotic and antifungal agents. Structure-activity relationships are also discussed.

  DOI：

  10.1007/s10593-012-1080-5

文献信息

• Synthesis, structural aspects, and antimicrobial activity investigation of novel macrocyclic amide-containing compounds
  作者：N. M. Aghatabay、S. Gündüz、A. Baş、M. Türkyilmaz、H. R. F. Karabulut、B. Dülger

  DOI：10.1007/s10593-012-1080-5

  日期：2012.9

  Macrocyclic 1(6),7(6)-dimethyl-1,7(2,4)-ditriazina-2,6,8,12-tetraaza-3,5,9,11-tetraoxocyclododecaphane, 1(6),8(6)-dimethyl-1,8(2,4)-ditriazina-2,7,9,14-tetraaza-3,6,10,13-tetraoxocyclotetradecaphane, 1(6),9(6)-dimethyl-1,9(2,4)-ditriazina-2,8,10,16-tetraaza-3,7,11,15-tetraoxocyclohexadecaphane, and 1(6),10(6)-dimethyl-1,10(2,4)-ditriazina-2,9,11,18-tetraaza-3,8,12,17-tetraoxocyclooctadecaphane are synthesized. The compounds are characterized by elemental analyses, Raman, IR, H-1, C-13 NMR and mass spectral data. The antimicrobial activities of the compounds are evaluated against several bacteria and yeast cultures and the results were compared with those of commercial antibiotic and antifungal agents. Structure-activity relationships are also discussed.