N2-(4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxynaphthacene-2-carboxamidomethyl)sulfanilamide | 98023-43-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 四环素类
• 英文名称: N2-(4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxynaphthacene-2-carboxamidomethyl)sulfanilamide
• 英文别名: N²-(4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxynaphthacene-2-carboxamidomethyl)sulfanilamide；N'-(4-Sulfamoyl-anilinomethyl)-tetracyclin
• CAS: 98023-43-9
• 化学式: C₂₉H₃₂N₄O₁₀S
• 分子量: 628.66
• InChiKey: KTJNLOLPCDZHHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.13
• 重原子数：
  44.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.34
• 拓扑面积：
  239.82
• 氢给体数：
  8.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide 、 磺胺 以 甲醇 、 水 为溶剂， 生成 N2-(4-dimethylamino-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxynaphthacene-2-carboxamidomethyl)sulfanilamide
  参考文献：
  名称：

  Synthesis and biological study of medicinally important Mannich bases derived from 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a pentahydroxy naphthacene carboxamide

  摘要：

  The paper describes synthesis and antibacterial study of biologically active Mannich bases of carboxamide derivative employing Mannich reaction of 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a pentahydroxy naphthacene carboxamide with various sulfonamides/secondary amines They were analysed by elemental analysis and characterized by UV, IR and H-1 NMR spectroscopic studies. The Mannich bases were screened for antibacterial activity against various gram-negative bacteria at various concentrations and were analysed statistically. The result has shown that the compounds are quite active against pathogens under study and were non-toxic. All the synthesized compounds were found to be low lethal as ascertained by LD50 test. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.11.001

文献信息

• Synthesis and biological study of medicinally important Mannich bases derived from 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a pentahydroxy naphthacene carboxamide
  作者：Sheela Joshi、Anju Das Manikpuri、Prapti Tiwari

  DOI：10.1016/j.bmcl.2006.11.001

  日期：2007.2

  The paper describes synthesis and antibacterial study of biologically active Mannich bases of carboxamide derivative employing Mannich reaction of 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a pentahydroxy naphthacene carboxamide with various sulfonamides/secondary amines They were analysed by elemental analysis and characterized by UV, IR and H-1 NMR spectroscopic studies. The Mannich bases were screened for antibacterial activity against various gram-negative bacteria at various concentrations and were analysed statistically. The result has shown that the compounds are quite active against pathogens under study and were non-toxic. All the synthesized compounds were found to be low lethal as ascertained by LD50 test. (c) 2006 Elsevier Ltd. All rights reserved.