(S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-2-Amino-5-(((S)-1-carboxy-2-phenylethyl)amino)-5-oxopentanoic acid
• 英文别名: 2-amino-5-[(1-carboxy-2-phenylethyl)amino]-5-oxopentanoic acid
• 化学式: C₁₄H₁₈N₂O₅
• 分子量: 294.3
• InChiKey: XHHOHZPNYFQJKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• Biomarkers for fatty liver disease and methods using the same
  申请人：Metabolon Inc.

  公开号：EP2546649A2

  公开（公告）日：2013-01-16

  The present invention provides various biomarkers of fatty liver disease, including steatosis and steatohepatitis. The present invention also provides various methods of using the biomarkers, including methods for diagnosis of fatty liver disease, methods of determining predisposition to fatty liver disease, methods of monitoring progression/regression of fatty liver disease, methods of assessing efficacy of compositions for treating fatty liver disease, methods of screening compositions for activity in modulating biomarkers of fatty liver disease, methods of treating fatty liver disease, as well as other methods based on biomarkers of fatty liver disease.

  本发明提供了脂肪肝的各种生物标志物，包括脂肪变性和脂肪性肝炎。本发明还提供了使用这些生物标志物的各种方法，包括诊断脂肪肝的方法、确定脂肪肝易感性的方法、监测脂肪肝进展/恶化的方法、评估治疗脂肪肝组合物疗效的方法、筛选组合物调节脂肪肝生物标志物活性的方法、治疗脂肪肝的方法以及基于脂肪肝生物标志物的其他方法。
• TRYPTOPHAN AS A BIOMARKERS FOR KIDNEY FUNCTION AND METHODS USING THE SAME
  申请人：Metabolon, Inc.

  公开号：EP3410115A1

  公开（公告）日：2018-12-05

  Biomarkers of kidney function and methods for using said biomarkers for assessing kidney function, monitoring kidney function, diagnosing acute kidney injury, and diagnosing chronic kidney disease are provided. Also provided are suites of small molecule entities as biomarkers for chronic kidney disease.

  本研究提供了肾功能生物标志物以及使用上述生物标志物评估肾功能、监测肾功能、诊断急性肾损伤和诊断慢性肾病的方法。此外，还提供了作为慢性肾病生物标志物的小分子实体套件。
• Methods and systems for determining autism spectrum disorder risk
  申请人：Laboratory Corporation of America Holdings

  公开号：US10041932B2

  公开（公告）日：2018-08-07

  In certain embodiments, the invention stems from the discovery that analysis of population distribution curves of metabolite levels in blood can be used to facilitate predicting risk of autism spectrum disorder (ASD) and/or to differentiate between ASD and non-ASD developmental delay (DD) in a subject. In certain aspects, information from assessment of the presence, absence, and/or direction (upper or lower) of a tail effect in a metabolite distribution curve is utilized to predict risk of ASD and/or to differentiate between ASD and DD.

  在某些实施方案中，本发明源于发现血液中代谢物水平的群体分布曲线分析可用于促进预测自闭症谱系障碍（ASD）的风险和/或区分受试者的自闭症谱系障碍和非自闭症谱系障碍发育迟缓（DD）。在某些方面，评估代谢物分布曲线中尾部效应的存在、不存在和/或方向（上部或下部）的信息可用于预测 ASD 的风险和/或区分 ASD 和 DD。
• Biomarkers for cardiovascular diseases and methods using the same
  申请人：Metabolon, Inc.

  公开号：US10175233B2

  公开（公告）日：2019-01-08

  Biomarkers relating to cardiovascular disease, including atherosclerosis and cardiomyopathy, are provided, as well as methods for using such biomarkers as biomarkers for cardiovascular disease. In addition, methods for modulating the respective disorders or conditions of a subject are also provided. Also provided are suites of small molecule entities as biomarkers for cardiovascular disease, including atherosclerosis and cardiomyopathy.

  本研究提供了与心血管疾病（包括动脉粥样硬化和心肌病）有关的生物标志物，以及将此类生物标志物用作心血管疾病生物标志物的方法。此外，还提供了调节受试者相应疾病或状况的方法。还提供了作为心血管疾病（包括动脉粥样硬化和心肌病）生物标志物的成套小分子实体。
• Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment
  申请人：Metabolon, Inc.

  公开号：US10267777B2

  公开（公告）日：2019-04-23

  Methods are described herein for small molecule biochemical profiling of an individual subject for diagnosis of a disease or disorder, facilitating diagnosis of a disease or disorder, and/or identifying an increased risk of developing a disease or disorder in the individual subject. Aberrant levels of small molecules present in a sample from an individual subject are identified and diagnostic information relevant to the individual subject is obtained based on the identified aberrant levels. The obtained diagnostic information includes one or more of an identification of at least one biochemical pathway associated with the identified subset of the small molecules having aberrant levels, an identification at least one disease or disorder associated with the identified subset of the small molecules having aberrant levels, and an identification of at least one recommended follow up test associated with the identified subset of the small molecules having aberrant levels.

  本文描述了对个体受试者进行小分子生化分析的方法，以诊断疾病或失调，促进疾病或失调的诊断，和/或确定个体受试者罹患疾病或失调的风险增加。确定个体受试者样本中存在的小分子的异常水平，并根据确定的异常水平获得与个体受试者相关的诊断信息。所获得的诊断信息包括：至少一个生化途径的鉴定，该生化途径与所鉴定的具有异常水平的小分子子集相关；至少一种疾病或紊乱的鉴定，该疾病或紊乱与所鉴定的具有异常水平的小分子子集相关；至少一种推荐的后续检测的鉴定，该检测与所鉴定的具有异常水平的小分子子集相关。