choline dibutyl phosphate | 1241962-99-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: choline dibutyl phosphate
• 英文别名: cholinium dibutyl phosphate；Dibutyl phosphate;2-hydroxyethyl(trimethyl)azanium；dibutyl phosphate;2-hydroxyethyl(trimethyl)azanium
• CAS: 1241962-99-1
• 化学式: C₅H₁₄NO*C₈H₁₈O₄P
• 分子量: 313.375
• InChiKey: BVWYHTLECBOSMV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  78.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  胆碱碳酸氢盐 、 磷酸二丁酯 以 水 为溶剂， 以100%的产率得到choline dibutyl phosphate
  参考文献：
  名称：

  使用水性离子液体缓冲液系统从肉类和肉类衍生产品中快速有效地提取DNA

  摘要：

  开发了一种短，简单且廉价的从肉中提取DNA的方法，研究了一套20种离子液体，包括咪唑鎓，胆碱和胍鎓衍生物以及水性缓冲液系统。环境友好的离子液体胆酸己酸盐-磷酸盐缓冲液混合物可提供最有希望的结果，与纯磷酸盐缓冲液相比，DNA在20分钟内即可从不同类型的肉类（如牛肉，鸡肉，猪肉和马肉）中提取DNA，其收率要高得多。进一步研究了离子液体对PCR扩增过程的影响，显示了随着离子液体链长的增加和离子液体浓度的升高而产生的抑制作用。此外，

  DOI：

  10.1039/c5nj00178a

文献信息

• Cyto-toxicity and biocompatibility of a family of choline phosphate ionic liquids designed for pharmaceutical applications
  作者：Katherine D. Weaver、Hye Jin Kim、Jiazeng Sun、Douglas R. MacFarlane、Gloria D. Elliott

  DOI：10.1039/b918726j

  日期：——

  Recently, the ionic liquid (IL) choline dihydrogen phosphate was demonstrated to improve the thermostability and shelf life of several model proteins, thus exhibiting potential as a stabilizing excipient or solvent for protein therapeutics. Before novel ILs can be used for biomedical applications, comprehensive data is required to establish biocompatibility, including cytotoxicity effects and solution behavior. In this study five phosphate-based anion moieties were analyzed: H2PO4− (DHP), dibutyl phosphate (DBP), bis(2-ethylhexyl) phosphate (BEH), bis(2,4,4-trimethylpentyl) phosphinate (TMP), and O,O′-diethyl dithiophosphate (DEP), all paired with the cation choline (C). Toxicity levels for these ILs, and a common sugar and salts, were established using a J774 murine macrophage cell line. The sugar trehalose, and the simple salts sodium chloride and choline chloride yielded EC50 values of >100, 63 and 34 mM, respectively. The EC50 values (mM) of CDHP (20), CDBP (9.1), and CDEP (8.2) were lower than, but within the range of simple salts NaCl (62.8) and choline Cl (33.7). The EC50 values of CTMP and CBEH were considerably lower, 0.25 and 0.30 mM, respectively. CDHP and CBEH displayed a hormetic response. Osmolality measurements indicated that CDHP, CDBP, and CDEP exhibit nearly complete dissociation in aqueous solution, with osmotic coefficients of 1.0, 0.9, and 0.8, whereas CTMP and CBEH have coefficients of 0.5 and 0.3, and are more molecular in character. A high correlation between the EC50 value and the anion mass fraction indicated that anion size and the presence of moderately long and/or branched alkyl chains may affect viability.

  最近，离子液体（IL）磷酸胆碱（choline dihydrogen phosphate）被证明可改善几种模型蛋白质的热稳定性和保质期，因此具有作为蛋白质治疗的稳定赋形剂或溶剂的潜力。在新型 IL 用于生物医学应用之前，需要全面的数据来确定其生物相容性，包括细胞毒性效应和溶液行为。本研究分析了五种基于磷酸盐的阴离子分子：H2PO4-（DHP）、磷酸二丁酯（DBP）、双（2-乙基己基）磷酸酯（BEH）、双（2,4,4-三甲基戊基）膦酸酯（TMP）和 O,O′-二乙基二硫代磷酸酯（DEP），它们都与阳离子胆碱（C）配对。利用 J774 鼠巨噬细胞系确定了这些 IL 以及一种常见糖类和盐类的毒性水平。糖类三卤糖和单盐氯化钠及氯化胆碱的 EC50 值分别大于 100、63 和 34 mM。CDHP（20）、CDBP（9.1）和 CDEP（8.2）的 EC50 值（毫摩尔）低于单盐氯化钠（62.8）和氯化胆碱（33.7），但在其范围之内。CTMP 和 CBEH 的 EC50 值要低得多，分别为 0.25 和 0.30 毫摩尔。CDHP 和 CBEH 显示出激素反应。渗透压测量结果表明，CDHP、CDBP 和 CDEP 在水溶液中几乎完全解离，渗透系数分别为 1.0、0.9 和 0.8，而 CTMP 和 CBEH 的渗透系数分别为 0.5 和 0.3，更具有分子特征。EC50 值与阴离子质量分数之间的高度相关性表明，阴离子的大小以及是否存在中等长度和/或支化的烷基链可能会影响存活率。
• SILICIC ACIDS FOR USE IN THE TREATMENT OF PERIODONTITIS
  申请人：Bio Minerals N.V.

  公开号：EP3632449A1

  公开（公告）日：2020-04-08

  The oral administration of bioavailable silicic acid, such as choline-stabilized silicic acid during a period of at least 3 months daily leads to the prevention, inhibition and or treatment of periodontitis and peri-implantatis. The treatment is particularly suitable in combination with appropriate cleaning of the teeth and disinfecting the mouth, by one or more antiseptic and/or antimicrobial agent(s), as carried out at least once and suitably regularly, such as once per year, twice per year, four times per year or even every second month or every month. The treatment may be further enhanced by simultaneous administration of vitamins, trace elements, as well as by administration of a probioticum. Such additional agents may be applied separately, but are preferably incorporated in the formulation of bioavailable silicic acid.

  每天口服生物可利用硅酸（如胆碱稳定硅酸）至少 3 个月，可预防、抑制和治疗牙周炎 和种植体周围炎。该治疗方法尤其适合与适当的牙齿清洁和口腔消毒相结合，使用一种或多种杀菌剂和/或抗菌剂，至少定期进行一次，如每年一次、每年两次、每年四次，甚至每隔一个月或每月一次。可通过同时使用维生素、微量元素和益生菌进一步加强治疗效果。这些附加制剂可以单独使用，但最好与生物可利用硅酸配方结合使用。
• METHODS, APPARATUS AND KITS FOR BACTERIAL CELL LYSIS
  申请人：Technische Universität Wien

  公开号：EP3650532A1

  公开（公告）日：2020-05-13

  The invention relates to a method for lysing a bacterial cell comprising the steps of: providing a sample comprising the bacterial cell, and adding a lysis agent to create a lysis reaction mixture; wherein the lysis agent comprises a water-miscible ionic liquid containing choline. The invention further provides an apparatus for carrying out the method as well as a kit for nucleic acid amplification from a bacterial cell and a kit for nucleic acid isolation from a bacterial cell.

  本发明涉及一种裂解细菌细胞的方法，包括以下步骤：提供包含细菌细胞的样品，并加入裂解剂生成裂解反应混合物；其中裂解剂包括含胆碱的水溶性离子液体。本发明进一步提供了一种用于实施该方法的装置，以及一种用于从细菌细胞中扩增核酸的试剂盒和一种用于从细菌细胞中分离核酸的试剂盒。
• WATER SOLUBLE SILICON-CONTAINING GRANULATE
  申请人：Bio Minerals NV

  公开号：EP3650011A1

  公开（公告）日：2020-05-13

  A water-soluble silicon-containing granulate comprising a silicon compound of the formula YxSi(OH)4-x or an oligomer thereof, wherein Y is optionally substituted (C1-C4)alkyl, (C2-C5)-alkenyl, (C1-C4)-alkoxy, amino, and wherein x is 0-2, and a cold-water soluble starch material.

  一种水溶性含硅粒料，由式 YxSi(OH)4-x 的硅化合物或其低聚物组成，其中 Y 为任选取代的 (C1-C4)烷基、(C2-C5)-烯基、(C1-C4)-烷氧基、氨基，x 为 0-2，以及一种冷水可溶淀粉材料。
• MEDICAMENT FOR THE PREVENTION AND TREATMENT OF MUSCLE CRAMPS
  申请人：Bio Minerals N.V.

  公开号：EP3695843A1

  公开（公告）日：2020-08-19

  Pharmaceutical composition comprising a pharmaceutically effective amount of bioavailable silicon in a daily dose of at least 3 mg elemental silicon, and a pharmaceutically effective amount of a magnesium compound in a daily dose of 50-500 mg elemental magnesium. The composition is used for prevention, inhibition and/or treatment of muscle cramps, such as skeletal muscle cramps.

  药物组合物，包括药学上有效量的生物可利用硅（每日剂量至少为 3 毫克元素硅）和药学上有效量的镁化合物（每日剂量为 50-500 毫克元素镁）。该组合物用于预防、抑制和/或治疗肌肉痉挛，如骨骼肌痉挛。