ALPHA-载脂蛋白-土霉素 | 18695-01-7

• 物质功能分类: 化学试剂 - 有机试剂 - 三环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 中文名称: ALPHA-载脂蛋白-土霉素
• 英文名称: α-apo-oxytetracycline
• 英文别名: alpha-apo-oxytetracycline；(3S,4S,5S)-4-((R)-4,5-Dihydroxy-9-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohex-1-enecarboxamide；(3S,4S,5S)-4-[(1R)-4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl]-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
• CAS: 18695-01-7
• 化学式: C₂₂H₂₂N₂O₈
• 分子量: 442.425
• InChiKey: DRKMHDAKULCOKQ-MLZJRGSSSA-N

物化性质

• 熔点：
  200°C
• 沸点：
  742.4±60.0 °C(Predicted)
• 密度：
  1.62±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于水基（轻微）、甲醇（轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  171
• 氢给体数：
  5
• 氢受体数：
  9

安全信息

• 海关编码：
  29413020
• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  土霉素 在 盐酸 作用下， 以 水 为溶剂， 反应 2.0h， 以23.2%的产率得到ALPHA-载脂蛋白-土霉素
  参考文献：
  名称：

  Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold

  摘要：

  Viridicatumtoxins, which belong to a rare class of fungal tetracycline-like mycotoxins, were subjected to comprehensive spectroscopic and chemical analysis, leading to reassignment/assignment of absolute configurations and characterization of a remarkably acid-stable antibiotic scaffold. Structure activity relationship studies revealed exceptional growth inhibitory activity against vancomycin-resistant Entercocci (IC50 40 nM), >270-fold more potent than the commercial antibiotic oxytetracycline.

  DOI：

  10.1021/acs.joc.5b02367

文献信息

• Viridicatumtoxins: Expanding on a Rare Tetracycline Antibiotic Scaffold
  作者：Zhuo Shang、Angela A. Salim、Zeinab Khalil、Michelle Quezada、Paul V. Bernhardt、Robert J. Capon

  DOI：10.1021/acs.joc.5b02367

  日期：2015.12.18

  Viridicatumtoxins, which belong to a rare class of fungal tetracycline-like mycotoxins, were subjected to comprehensive spectroscopic and chemical analysis, leading to reassignment/assignment of absolute configurations and characterization of a remarkably acid-stable antibiotic scaffold. Structure activity relationship studies revealed exceptional growth inhibitory activity against vancomycin-resistant Entercocci (IC50 40 nM), >270-fold more potent than the commercial antibiotic oxytetracycline.