vanisal sodium

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: vanisal sodium
• 英文别名: Sodium;4-[hydroxy(sulfo)methyl]-2-methoxyphenolate；sodium;4-[hydroxy(sulfo)methyl]-2-methoxyphenolate
• 化学式: C₈H₉O₆S*Na
• 分子量: 256.212
• InChiKey: GRLMAXWKMVTJTM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.06
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  115
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  vanisal sodium 在 Montmorillonite KSF clay 作用下， 以97%的产率得到香草醛
  参考文献：
  名称：

  蒙脱土KSF粘土在微波辐射下以固态从亚硫酸氢盐加成产物再生醛

  摘要：

  在无溶剂条件下用蒙脱土KSF粘土对亚硫酸氢盐加成产物进行微波辐射，可提供一种快速，高效和简单的方法，以优异的收率再生醛。

  DOI：

  10.1039/a900309f
• 作为产物：
  描述：

  香草醛 在 sodium metabisulfite 作用下， 以 乙醇 为溶剂， 生成 vanisal sodium
  参考文献：
  名称：

  用1,2,5-三取代的苯并咪唑有效抑制Sirtuin † ‡

  摘要：

  基于苯并咪唑支架合成了两个系列的化合物。随后针对这些化合物的SIRT1，SIRT2和SIRT3活性进行筛选。在这项研究中，其中三种化合物对SIRT2表现出良好的抑制活性，其中最有效的化合物（5i）的IC 50值为2.9μM。分子对接分析表明5i通过在活性位点置换辅因子NAD +能够抑制SIRT2 。通过配体-NAD +竞争性实验进一步证实了这一点。

  DOI：

  10.1039/c6md00378h

文献信息

• [EN] BIOLOGICALLY ACTIVE COMPOSITIONS CONTAINING PHENOLIC RESIDUE<br/>[FR] COMPOSITIONS BIOLOGIQUEMENT ACTIVES CONTENANT UN RÉSIDU PHÉNOLIQUE
  申请人：TSIVION YORAM

  公开号：WO2013064996A1

  公开（公告）日：2013-05-10

  A method of solubilizing hydrophobic pesticides having one or more carbonyl groups comprises adding bisulfite for dissolving the pesticide in water to form an apparent solution, wherein said apparent solution is used for applying to agricultural crops. And the use of a composition comprising an aqueous mixture of aldehydes and bisulfite with a suitable surfactant, said use for controlling pests.

  一种溶解具有一个或多个羰基的疏水性杀虫剂的方法包括添加亚硫酸氢盐以将杀虫剂溶解在水中形成明显溶液，其中所述明显溶液用于施用于农作物。以及使用包含醛类和亚硫酸氢盐的水溶混合物以及适当的表面活性剂的组合物，用于控制害虫。
• Application of Bertagnini's Salts in a Mechanochemical Approach Toward Aza‐Heterocycles and Reductive Aminations via Imine Formation
  作者：Sourav Behera、Shyamal Kanti Bera、Francesco Basoccu、Federico Cuccu、Pietro Caboni、Lidia De Luca、Andrea Porcheddu

  DOI：10.1002/adsc.202301407

  日期：——

  with solid reagents. We have showcased the practicality of Bertagnini's salts, also called aldehyde-bisulfite adducts, which are crystalline, simplifying preparation and storage. These salts are stable substitutes for liquid aldehydes and ketones that have been effectively employed in reductive amination, synthesizing aza-heterocycles and hydrazones within mechanochemistry. The technique's effectiveness

  我们的研究表明，使用固体试剂进行机械化学活化更有效。我们展示了贝尔塔尼尼盐（也称为醛-亚硫酸氢盐加合物）的实用性，它们是结晶，简化了制备和储存。这些盐是液体醛和酮的稳定替代品，可有效用于机械化学中的还原胺化、氮杂杂环和腙的合成。该技术的有效性拓宽了底物范围，简化了纯化，减少了反应时间，并提供了良好的产物收率。此外，亚硫酸氢盐加合物的热稳定性已通过 TGA（热重分析）分析得到证实。
• Synthesis, characterization, and molecular docking analysis of novel benzimidazole derivatives as cholinesterase inhibitors
  作者：Yeong Keng Yoon、Mohamed Ashraf Ali、Ang Chee Wei、Tan Soo Choon、Kooi-Yeong Khaw、Vikneswaran Murugaiyah、Hasnah Osman、Vijay H. Masand

  DOI：10.1016/j.bioorg.2013.06.008

  日期：2013.8

  Two series of novel acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors containing benzimidazole core structure were synthesized by a four-step reaction pathway starting from 4-fluoro-3-nitrobenzoic acid as the basic compound. The structure of the novel benzimidazoles was characterized and confirmed by the elemental and mass spectral analyses as well as H-1 NMR spectroscopic data. Of the 34 novel synthesized compounds, three benzimidazoles revealed AChE inhibition with IC50 < 10 mu M. The highest inhibitory activity (IC50 = 5.12 mu M for AChE and IC50 = 8.63 mu M for BChE) corresponds to the compound 5IIc (ethyl 1-(3-(1H-imidazol-1-yl)propyl)-2-(4-nitrophenyl)-1H-benzo[d]imidazole-5-carboxylate). The relationship between lipophilicity and the chemical structures as well as their limited structure-activity relationship was discussed. (C) 2013 Elsevier Inc. All rights reserved.
• Synthesis and evaluation of antimycobacterial activity of new benzimidazole aminoesters
  作者：Yeong Keng Yoon、Mohamed Ashraf Ali、Ang Chee Wei、Tan Soo Choon、Rusli Ismail

  DOI：10.1016/j.ejmech.2013.06.025

  日期：2015.3

  A total of 51 novel benzimidazoles were synthesized by a 4-step reaction starting from basic compound 4-fluoro-3-nitrobenzoic acid under relatively mild reaction conditions. The structure of the novel benzimidazoles was confirmed by mass spectra as well as H-1 NMR spectroscopic data. Out of the 51 novel synthesized compounds, 42 of them were screened for their antimycobacterial activity against Mycobacterium tuberculosis H(37)Rv strain using BacTiter-Glo (TM) Microbial Cell Viability (BTG) method. Results of activity screened using Alamar Blue method was also provided for comparison purposes. Two of the novel benzimidazoles synthesized showed moderately good activity with 1050 of less than 15 mu M. Compound 5g, ethyl 2-(4-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-benzo[d]imidazole-5-carboxylate, was found to be the most active with IC50 of 11.52 mu M. (C) 2014 Elsevier Masson SAS. All rights reserved.
• Astik, R. R.; Thaker, K. A., Journal of the Indian Chemical Society, 1981, vol. 58, p. 1013 - 1014
  作者：Astik, R. R.、Thaker, K. A.

  DOI：——

  日期：——