1-乙酸冰片酯/乙酸龙脑脂 | 55365-63-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 中文名称: 1-乙酸冰片酯/乙酸龙脑脂
• 中文别名: 2,4-二氯-3-羟基-8-甲氧基-1,6-二甲基-11-氧代-11H-二苯并[b,e][1,4]二氧杂卓-7-羧酸甲酯；节枝定；乙酸龙脑脂
• 英文名称: gangaleoidin
• 英文别名: methyl 8,10-dichloro-9-hydroxy-3-methoxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate
• CAS: 55365-63-4
• 化学式: C₁₈H₁₄Cl₂O₇
• 分子量: 413.211
• InChiKey: RPHAAJGBADUATP-UHFFFAOYSA-N

物化性质

• 熔点：
  214～215℃
• 沸点：
  593.8±50.0 °C(Predicted)
• 密度：
  1.480±0.06 g/cm3(Predicted)
• LogP：
  4.670 (est)
• 碰撞截面：
  186.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1-乙酸冰片酯/乙酸龙脑脂 、 alkaline earth salt of/the/ methylsulfuric acid 生成 3,5-dichloro-4,4'-dihydroxy-6'-methoxy-6,2'-dimethyl-2,3'-oxy-di-benzoic acid dimethyl ester
  参考文献：
  名称：

  Hardiman et al., Scientific Proceedings of the Royal Dublin Society, 1933, vol. 21, p. 141,144

  摘要：

  DOI：

文献信息

• Davidson et al., Scientific Proceedings of the Royal Dublin Society, 1943, vol. 23, p. 143,153
  作者：Davidson et al.

  DOI：——

  日期：——
• Nolan; Keane, Scientific Proceedings of the Royal Dublin Society, 1940, vol. 22, p. 199,202, 203
  作者：Nolan、Keane

  DOI：——

  日期：——
• ANTIBIOTIC COMPOUNDS THAT INHIBIT BACTERIAL PROTEIN SYNTHESIS
  申请人：The Board of Regents of the University of Texas System

  公开号：US20160220510A1

  公开（公告）日：2016-08-04

  An aminoacylation/translation (AIT) system based on the protein synthesis system from the pathogen Pseudomonas aeruginosa , was used to screen chemical compounds for identifying inhibitors of protein synthesis. This system includes elongation factors: EF-Tu, EF-Ts and EF-G, aminoacyl tRNA synthetase (aaRS) specific for phenylalanine, PheRS, and ribosomes isolated from cultures of Pseudomonas aeruginosa . Compounds identified using this assay have been shown to contain broad spectrum activity against both Gram+ and Gram− pathogens. Methods of using the identified compounds, as well as derivatives and analogues of these compounds, as antimicrobial agents against bacterial infections are described.