2-(N-羧基甲基-N-苯基)氨基-4,6-二疏基-1,3,5-三嗪 | 175161-86-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(N-羧基甲基-N-苯基)氨基-4,6-二疏基-1,3,5-三嗪
• 中文别名: 2-(N-羧甲基-N-苯基)胺-4,6-三嗪
• 英文名称: 2-((4,6-Dimercapto-1,3,5-triazin-2-yl)(phenyl)amino)acetic acid
• 英文别名: 2-(N-[4,6-bis(sulfanylidene)-1H-1,3,5-triazin-2-yl]anilino)acetic acid
• CAS: 175161-86-1
• 化学式: C₁₁H₁₀N₄O₂S₂
• 分子量: 294.4
• InChiKey: DAKZRRQKYYSXNF-UHFFFAOYSA-N

物化性质

• 沸点：
  460.8±47.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  141
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2933699090

文献信息

• Method and use of metabolites for the diagnosis and differentiation of neonatal encephalopathy
  申请人：InfanDx AG

  公开号：EP2587264A1

  公开（公告）日：2013-05-01

  The invention generally relates to the identification metabolites and signatures (panels) of metabolites, which are applicable as biomarkers in clinical diagnosis, in particular for neonatal encephalopathy. They are useful tools in differential clinical diagnosis for early detection of brain injury, determination of brain areas affected by the insults and prediction of adverse neurological outcome and may also be applied in diagnosing disease progression and treatment effect. The present invention more particularly relates to an in vitro method for predicting the likelihood of neonatal encephalopathy of distinct brain areas, identification of affected brain area(s) of neonatal encephalopathy and risk of brain damage and prognosis and neurological outcome due to identification of the type and extent of damage of distinct brain tissues, in particular of hippocampus and / or basal ganglia.

  本发明一般涉及代谢物和代谢物特征（组）的鉴定，这些代谢物和代谢物特征可作为生物标志物用于临床诊断，特别是新生儿脑病的诊断。它们是临床鉴别诊断的有用工具，可用于早期发现脑损伤、确定受损伤影响的脑区和预测不良神经功能结果，还可用于诊断疾病进展和治疗效果。本发明尤其涉及一种体外方法，用于预测不同脑区发生新生儿脑病的可能性、确定新生儿脑病的受影响脑区以及脑损伤风险，并通过鉴定不同脑组织（尤其是海马和/或基底节）的损伤类型和程度来预测预后和神经系统结果。
• Diagnosis and treatment of neonatal encephalopathy
  申请人：InfanDx AG

  公开号：US10514383B2

  公开（公告）日：2019-12-24

  Metabolites and signatures (panels) of metabolites are applicable as biomarkers in clinical diagnosis, in particular for neonatal encephalopathy. They are useful tools in differential clinical diagnosis for early detection of brain injury, determination of brain areas affected by the insults and prediction of adverse neurological outcome and may also be applied in diagnosing disease progression and treatment effect. An in vitro method for predicting the likelihood of neonatal encephalopathy of distinct brain areas, identification of affected brain area(s) of neonatal encephalopathy and risk of brain damage and prognosis and neurological outcome due to identification of the type and extent of damage of distinct brain tissues, in particular of hippocampus and/or basal ganglia, is provided.

  代谢物和代谢物特征（组）可作为生物标记物用于临床诊断，尤其是新生儿脑病的诊断。它们是临床鉴别诊断的有用工具，可用于早期发现脑损伤、确定受损伤影响的脑区和预测不良神经系统结果，还可用于诊断疾病进展和治疗效果。本研究提供了一种体外方法，用于预测不同脑区发生新生儿脑病的可能性、确定新生儿脑病的受影响脑区、脑损伤风险以及由于确定不同脑组织（特别是海马和/或基底节）的损伤类型和程度而导致的预后和神经系统结局。
• METHOD AND USE OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY
  申请人：InfanDx AG

  公开号：EP2771696A2

  公开（公告）日：2014-09-03
• METHODS MAKING USE OF PANELS OF METABOLITES FOR THE DIAGNOSIS AND DIFFERENTIATION OF NEONATAL ENCEPHALOPATHY
  申请人：InfanDx AG

  公开号：EP2771696B1

  公开（公告）日：2022-09-14
• Method and Use of Metabolites for the Diagnosis and Differentiation of Neonatal Encephalopathy
  申请人：InfanDx AG

  公开号：US20140308687A1

  公开（公告）日：2014-10-16

  Metabolites and signatures (panels) of metabolites are applicable as biomarkers in clinical diagnosis, in particular for neonatal encephalopathy. They are useful tools in differential clinical diagnosis for early detection of brain injury, determination of brain areas affected by the insults and prediction of adverse neurological outcome and may also be applied in diagnosing disease progression and treatment effect. An in vitro method for predicting the likelihood of neonatal encephalopathy of distinct brain areas, identification of affected brain area(s) of neonatal encephalopathy and risk of brain damage and prognosis and neurological outcome due to identification of the type and extent of damage of distinct brain tissues, in particular of hippocampus and/or basal ganglia, is provided.