acryloyl carnitine | 20874-23-1

• 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: acryloyl carnitine
• 英文别名: 3-Prop-2-enoyloxy-4-(trimethylazaniumyl)butanoate
• CAS: 20874-23-1
• 化学式: C₁₀H₁₇NO₄
• 分子量: 215.249
• InChiKey: YUCNWOKTRWJLGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  66.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  disodium hydrogenphosphate 、 bromopropionyl carnitine 在 盐酸 作用下， 以 水 为溶剂， 以42%的产率得到acryloyl carnitine
  参考文献：
  名称：

  Thioalkanoyl-carnitines, process for their preparation and mucolytic

  摘要：

  一般式（I）的硫代烷酰基肉碱：##STR1## 其中，R是直链烷基基团，其具有2至6个碳原子，或是分支烷基基团，其具有3至6个碳原子，R.sub.1是直链或分支的低级烷基基团，其具有1至4个碳原子，X.sup.-是卤素阴离子，通过将一般式（II）的硫酸（a）与一般式（III）的化合物反应而制备得到，其中n是介于0和4之间的整数，或（b）如果在（I）中硫代烷酰基R.sub.1 COS-不在末端位置，则通过将一般式（IV）的化合物反应而制备得到，其中m和m.sup.1是介于0和3之间的整数，R.sub.2是具有1至4个碳原子的低级烷基基团。含有硫代烷酰基肉碱（I）的药物组合物具有润痰和止咳活性。

  公开号：

  US04518613A1

文献信息

• Method for normalization in metabolomics analysis methods with endogenous reference metabolites
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2270699A1

  公开（公告）日：2011-01-05

  The present invention relates to the use of endogenous reference metabolites and a method for normalization of intensity data corresponding to amounts and/or concentrations of selected target metabolites in a biological sample of a mammalian subject, wherein said intensity data are obtained by a metabolomics analysis method with one or a plurality of endogenous reference metabolites, comprising carrying out at least one in vitro metabolomics analysis method of said selected target metabolites in said biological sample, simultaneously carrying out in the same sample a quantitative analysis of one or a plurality of endogenous reference metabolites or derivatives thereof, wherein said endogenous reference metabolites are such compounds in the biological sample which are present in the subject at an essentially constant level; and wherein said endogenous reference metabolites or derivatives thereof have a molecular mass less than 1500 Da.

  本发明涉及内源参比代谢物的使用以及对哺乳动物受试者生物样本中选定目标代谢物的量和/或浓度对应的强度数据进行归一化的方法，其中所述强度数据是通过一种或多种内源参比代谢物的代谢组学分析方法获得的、包括对所述生物样本中的所述选定目标代谢物进行至少一种体外代谢组学分析方法，同时对同一样本中的一种或多种内源性参考代谢物或其衍生物进行定量分析，其中所述内源性参考代谢物是生物样本中的化合物，它们以基本恒定的水平存在于受试者体内；所述内源性参考代谢物或其衍生物的分子质量小于 1500 Da。
• Method of diagnosing organ failure
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2284540A1

  公开（公告）日：2011-02-16

  The present invention relates to a reliable and statistically significant method for predicting the likelihood of an onset of an inflammation associated organ failure from a biological sample of a mammalian subject in vitro, by means of a subject's quantitative metabolomics profile comprising a plurality of endogenous metabolites, and comparing it with a quantitative reference metabolomics profile of a plurality of endogenous organ failure predictive target metabolites in order to predict whether the subject is likely or unlikely to develop an organ failure. Furthermore, the invention relates to the usefulness of endogenous organ failure predictive target metabolites in such a method, and finally, the present invention relates to a Kit for carrying out said method.

  本发明涉及一种从体外哺乳动物受试者的生物样本中预测炎症相关器官衰竭发病可能性的可靠且具有统计学意义的方法，该方法通过受试者的由多种内源性代谢物组成的定量代谢组学图谱，并将其与由多种内源性器官衰竭预测目标代谢物组成的定量参考代谢组学图谱进行比较，从而预测受试者可能或不可能发生器官衰竭。此外，本发明还涉及内源性器官衰竭预测目标代谢物在这种方法中的实用性，最后，本发明还涉及一种用于实施所述方法的试剂盒。
• Diagnosing prostate cancer relapse
  申请人：IMG Institut für medizinische Genomforschung Planungsgesellschaft M.B.H.

  公开号：EP2354794A1

  公开（公告）日：2011-08-10

  The invention discloses the use of at least one substance selected from the group consisting of Phosphatidylcholine with diacyl residue sum C24:0 (PC aa C24:0); Phosphatidylcholine with diacyl residue sum C40:3 (PC ae C40:3); Phosphatidylcholine with diacyl residue sum C40:4 (PC ae C40:4); Lysophosphatidylcholine with acyl residue sum C26:0 (lysoPC a C26:0); Lysophosphatidylcholine with acyl residue sum C6:0 (lysoPC a C6:0); 13(S)-hydroxy-9Z,11E-octadecadienoic acid (13S-HODE); 12(S)-hydroxy-5Z,8Z,10E,14Z-eicosatetraenoic acid (12S-HETE); 15(S)-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid (15S-HETE); Leukotriene B4 (LTB4); Prostaglandin E2 (PGE2); Prostaglandin D2 (PGD2); 7α-Hydroxycholesterol (7aOHC); 7-Ketocholesterol (7KC); 5β,6β-Epoxycholesterol (5b,6b,EPC); 5α,6α-Epoxycholesterol (5a,6a,EPC); and 4β-Hydroxycholesterol (4BOHC); for prognosing relapse of a prostate cancer (PCa) in a sample of a body fluid or a tissue sample of a PCa patient.

  本发明公开了至少一种选自以下组别的物质的用途：二酰基残基总和为 C24:0 的磷脂酰胆碱（PC aa C24:0）；二酰基残基总和为 C40：3（PC ae C40:3）；二酰基残基总和为 C40:4（PC ae C40:4）的磷脂酰胆碱；酰基残基总和为 C26:0（lysoPC a C26:0）的溶血磷脂酰胆碱；酰基残基总和为 C6:0（lysoPC a C6：0）；13(S)-羟基-9Z,11E-十八碳二烯酸（13S-HODE）；12(S)-羟基-5Z,8Z,10E,14Z-二十碳四烯酸（12S-HETE）；15（S）-羟基-5Z,8Z,11Z,13E-二十碳四烯酸（15S-HETE）；白三烯 B4（LTB4）；前列腺素 E2（PGE2）；前列腺素 D2（PGD2）；7α-羟基胆固醇（7aOHC）；7-酮胆固醇（7KC）；5β,6β-环氧胆固醇（5b,6b,EPC）；5α,6α-环氧胆固醇（5a,6a,EPC）；以及 4β-羟基胆固醇（4BOHC）；用于预测 PCa 患者体液样本或组织样本中前列腺癌（PCa）复发的情况。
• Lipophilic microparticles containing a protein drug or antigen and formulation comprising same
  申请人：LG Life Sciences, Ltd.

  公开号：EP2481401A1

  公开（公告）日：2012-08-01

  A lipophilic microparticle having an average particle size ranging from 0.1 to 200 µm, comprising a lipophilic substance and an active ingredient selected from the group consisting of a protein or peptide drug and an antigen, retains the full activity of the active ingredient, and when formulated in the form of an oil dispersion or oil-in-water emulsion, it releases in an in vivo environment the active ingredient in a controlled manner over a long period.

  一种平均粒径为 0.1 至 200 微米的亲脂性微粒，由亲脂性物质和选自蛋白质或肽类药物和抗原的活性成分组成，能保持活性成分的全部活性，以油分散体或水包油乳剂的形式配制时，能在体内环境中以可控方式长期释放活性成分。
• Method and use of metabolites for the diagnosis of inflammatory brain injury in preterm born infants
  申请人：BIOCRATES Life Sciences AG

  公开号：EP2492690A1

  公开（公告）日：2012-08-29

  The present invention relates to novel biomarkers for predicting the likelihood of inflammation-related brain injury in preterm born infants, using a plurality of endogenous target metabolites selected from the group consisting of acyl carnitins, diacylphosphatidylcholines, acyl-alkylphosphatidylchoines, lysophosphatidylcholines and amino acids.

  本发明涉及预测早产儿发生炎症相关脑损伤可能性的新型生物标记物，该标记物使用选自酰基肉毒蛋白、二酰基磷脂酰胆碱、酰基烷基磷脂酰胆碱、溶血磷脂酰胆碱和氨基酸组成的组中的多种内源性靶代谢物。