2-(辛基氧基)-2-氧代乙烷-1-磺酸钠 | 29462-75-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 2-(辛基氧基)-2-氧代乙烷-1-磺酸钠
• 英文名称: sodium 2-(octyloxy)-2-oxoethane-1-sulfonate
• 英文别名: Acetic acid, sulfo-, 1-octyl ester, sodium salt；sodium;2-octoxy-2-oxoethanesulfonate
• CAS: 29462-75-7
• 化学式: C₁₀H₁₉O₅S*Na
• 分子量: 274.314
• InChiKey: PFDIDGFAIAAGSH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.56
• 重原子数：
  17
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  91.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯乙酸辛酯 在 sodium sulfite 作用下， 以 水 为溶剂， 生成 2-(辛基氧基)-2-氧代乙烷-1-磺酸钠
  参考文献：
  名称：

  Jobe, David J.; Reinsborough, Vincent C., Canadian Journal of Chemistry, 1984, vol. 62, p. 280 - 284

  摘要：

  DOI：

文献信息

• Novel partially reversible NDM-1 inhibitors based on the naturally occurring houttuynin
  作者：Lifang Wang、Yaowen Liang、Pan Luo、Manna Huang、Yiqian Wan

  DOI：10.1016/j.bioorg.2024.107328

  日期：2024.6

  urgent task for treatment of ‘superbug’ infectious diseases. In this study, we found that naturally occurring houttuynin and its sulfonate derivatives might be effective NDM-1 inhibitors with novel mechanism, i.e. the attribute of partially covalent inhibition of sulfonate derivatives of houttuynin against NDM-1. Primary structure–activity relationship study showed that both the long aliphatic side chain

  发现新型NDM-1抑制剂是治疗“超级细菌”传染病的紧迫任务。在本研究中，我们发现天然存在的鱼腥草素及其磺酸盐衍生物可能是有效的NDM-1抑制剂，其机制新颖，即鱼腥草素磺酸盐衍生物对NDM-1具有部分共价抑制作用。一级构效关系研究表明，长脂肪族侧链和醛基弹头对于对抗NDM-1的效率至关重要。链较长的同系物 ( to ) 显示出较强的抑制活性，IC 范围为 1.1–1.5 μM，而链较短的同系物则抑制较弱。进一步的细胞水平协同实验证实，这4种化合物（32 μg/mL）均恢复了美罗培南（MER）对BL21/pET15b-的抗菌活性。
• Surface and thermodynamic properties of octyl, dodecyl, and cetyl sulfoacetates
  作者：E. A. M. Gad、M. M. A. El-Sukkary、E. M. S. Azzam

  DOI：10.1007/bf00807558

  日期：1997.11

  Three anionic surfactants (Na-octysulfoacetate (A(8)), Na-dodecylsulfoacetate (A(12)), and Na-cetylsulfoacetate (A(16)) were prepared from alkyl bromoacetate. Several studies were carried out with aqueous surfactant solutions including surface tension, and electrical conductivity measurements. Surface properties, in particular, critical micelle concentration (CMC), effectiveness (Pi(CMC)), efficiency (P-c20), maximum surface excess (Gamma(max)), and minimum surface area (A(min)) were investigated at different concentrations at 20, 35 and 50 degrees C, respectively. Free energies, enthalpies, entropies of micellization, and adsorption of the surfactants in the aqueous solution were studied.
• US4246154A
  申请人：——

  公开号：US4246154A

  公开（公告）日：1981-01-20
• Jobe, David J.; Reinsborough, Vincent C., Canadian Journal of Chemistry, 1984, vol. 62, p. 280 - 284
  作者：Jobe, David J.、Reinsborough, Vincent C.

  DOI：——

  日期：——