2,2-dimethylpropane-1,3-diol;(2R,3R,4S,5R)-1,2,3,4,5-pentahydroxytetradecan-6-one

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2,2-dimethylpropane-1,3-diol;(2R,3R,4S,5R)-1,2,3,4,5-pentahydroxytetradecan-6-one
• 化学式: C19H40O8
• 分子量: 396.5
• InChiKey: HOEMAOBLPCEVKP-TWPGKBSFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.26
• 重原子数：
  27
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  159
• 氢给体数：
  7
• 氢受体数：
  8

文献信息

• METHODS AND COMPOSITIONS FOR ENZYME LINKED IMMUNO AND HYBRIDIZATION MASS SPECTROMETRIC ASSAY
  申请人：YYZ Pharmatech, Inc.

  公开号：US20160223530A1

  公开（公告）日：2016-08-04

  Disclosed are sensitive methods for detecting a target substance in low concentrations. The method can include immobilizing a target substance to a solid phase; incubating the immobilized target substance with a reporter enzyme detection probe in solution under conditions for forming target: enzyme detection probe complexes; washing the solid phase to remove any unbound reporter enzyme detection probe; incubating the target: enzyme detection probe complex with a reporter enzyme detection probe substrate in substrate reaction solution to generate one or more ionizable products; and detecting one or more of the one or more ionizable products using mass spectrometry (MS).

  本发明涉及一种敏感的低浓度目标物检测方法。该方法可以包括将目标物质固定到固相上；在形成目标物：酶检测探针复合物的条件下，将固定的目标物质与溶液中的报告酶检测探针孵育；洗涤固相以去除任何未结合的报告酶检测探针；将目标物：酶检测探针复合物与报告酶检测探针底物在底物反应溶液中孵育，以产生一个或多个可离子化产物；并使用质谱（MS）检测一个或多个可离子化产物中的一个或多个。
• METHOD FOR DIRECTLY DETECTING PATHOGENIC STRAIN HAVING RESISTANCE TO BETA-LACTAM ANTIBIOTICS
  申请人：Seegene Medical Foundation

  公开号：EP4009052A1

  公开（公告）日：2022-06-08

  The present invention relates to a method for detecting a pathogenic strain having resistance to β-lactam antibiotics in a biological sample, and a method for identifying a protein involved in resistance in β-lactam antibiotics, which is contained in a biological sample. According to the present invention, it is possible to quickly and accurately determine not only whether a pathogenic strain has resistance to antibiotics, but also the type of protein involved in the resistance, by directly identifying an extended spectrum β-lactamase (ESBL) protein with a truncated N-terminus through mass spectrometry. Accordingly, the present invention can be effectively utilized to quickly establish an appropriate antibiotic administration strategy at the initial stage of infection.

  本发明涉及一种检测生物样本中对β-内酰胺类抗生素具有抗药性的致病菌株的方法，以及一种鉴定生物样本中含有的参与对β-内酰胺类抗生素产生抗药性的蛋白质的方法。根据本发明，通过质谱法直接鉴定具有截短 N 端的扩谱 β-内酰胺酶（ESBL）蛋白，不仅可以快速准确地确定病原菌株是否对抗生素具有抗药性，还可以确定抗药性所涉及的蛋白类型。因此，本发明可有效用于在感染初期快速确定适当的抗生素用药策略。
• Compositions and methods for controlling fungal and bacterial diseases in plants
  申请人：Bayer CropScience LP

  公开号：US10221428B2

  公开（公告）日：2019-03-05

  The present invention provides a fungicidal composition comprising a strain of Bacillus subtilis or Bacillus amyloliquefaciens and one of several compounds in a synergistically effective amount. Also provided are methods of controlling fungal harmful organisms and/or bacterial harmful organisms in a plant, the method comprising applying an effective amount of a fungicidal composition to the plant, to a part of the plant and/or to a locus on which the plant or plant part grows.

  本发明提供了一种杀真菌组合物，该组合物由枯草芽孢杆菌或淀粉芽孢杆菌菌株和几种化合物中的一种以协同有效的量组成。本发明还提供了控制植物中真菌有害生物和/或细菌有害生物的方法，该方法包括将有效量的杀真菌组合物施用于植物、植物的一部分和/或植物或植物部分生长的部位。
• Method for the purification of biological macromolecular complexes
  申请人：MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V.

  公开号：US10829515B2

  公开（公告）日：2020-11-10

  The present invention relates in a first aspect to a method for the purification of biological macromolecular complexes. Typically, no chromatography steps are applied. That is, the present invention relates to a method for the purification of biological macromolecular complexes Furthermore, the present invention relates to a method for crystallization of biological macromolecular complexes comprising the step of purification as described followed by crystallization in a reservoir solution containing a water-soluble polymer. Furthermore, purified biological macromolecular complexes obtainable by the method according to the present invention are provided as well as crystallized biological macromolecular complexes. Finally, a method for determining the suitability of a candidate compound for inhibiting the 20S proteasome of an individual is provided. Said method is particularly useful in personalized medicine identifying suitable inhibitors of the 20S proteasome in individuals for treating, ameliorating or preventing a cancer, an autoimmune disease, a muscular dystrophy, emphysema or cachexia accompanying cancer or AIDS.

  本发明首先涉及一种生物大分子复合物的纯化方法。通常情况下，不使用层析步骤。此外，本发明还涉及一种生物大分子复合物的结晶方法，包括所述的纯化步骤，然后在含有水溶性聚合物的储液中结晶。此外，还提供了可通过本发明方法获得的纯化生物大分子复合物以及结晶生物大分子复合物。最后，本发明还提供了一种确定候选化合物是否适合抑制个体 20S 蛋白酶体的方法。所述方法尤其适用于个体化医疗，确定个体中合适的 20S 蛋白酶体抑制剂，以治疗、改善或预防癌症、自身免疫性疾病、肌肉萎缩症、肺气肿或癌症或艾滋病伴随的恶病质。
• Detection of membrane proteins
  申请人：Oxford University Innovation Limited

  公开号：US10955421B2

  公开（公告）日：2021-03-23

  A method of detecting a membrane protein by mass spectrometry comprises: (a) providing a solution comprising a detergent micelle in which said membrane protein is contained; (b) providing a mass spectrometer comprising a nanoelectrospray ionisation source, a mass analyser and a detector; (c) vaporising the solution using the nanoelectrospray ionisation source under conditions such that the membrane protein is released from the micelle; (d) ionising the membrane protein; (e) resolving the ionised membrane protein using the mass analyser; and (f) detecting the resolved membrane protein using the detector; wherein the solution contains a phosphate ester detergent which forms said detergent micelle. Also provided are reagents for use in said method.

  一种利用质谱检测膜蛋白的方法包括(a) 提供包含洗涤剂胶束的溶液，其中含有所述膜蛋白； (b) 提供包括纳米电喷雾离子源、质量分析器和检测器的质谱仪； (c) 在使膜蛋白从胶束中释放的条件下，使用纳米电喷雾离子源蒸发溶液；(d) 电离膜蛋白； (e) 使用质量分析器解析电离出的膜蛋白；以及 (f) 使用检测器检测解析出的膜蛋白；其中溶液含有磷酸酯去垢剂，形成所述去垢胶束。还提供了用于所述方法的试剂。