甲基N-3-丁烯酰甘氨酸酯 | 73122-61-9

• 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
• 中文名称: 甲基N-3-丁烯酰甘氨酸酯
• 中文别名: 4-氨基-5-氯-N-(2-{4-[(环己基氨基甲酰)氨磺酰]苯基}乙基)-2-甲氧基苯磺酰胺
• 英文名称: vinylacetylglycine
• 英文别名: 2-(but-3-enoylamino)acetic acid
• CAS: 73122-61-9
• 化学式: C₆H₉NO₃
• 分子量: 143.142
• InChiKey: UKISAGFGRDHYFO-UHFFFAOYSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基N-3-丁烯酰甘氨酸酯 在 水 、 三氟乙酸 作用下， 反应 2.0h， 生成 N-(3-苯基丙酰基)甘氨酸
  参考文献：
  名称：

  Solid phase synthesis of acylglycine human metabolites

  摘要：

  Acylglycines represents a large and important class of human metabolites. They are often used in medicine to identify fatty acid oxidation disorders. A highly efficient solid phase synthesis approach to obtain these clinically important compounds is developed via coupling reaction between glycine-preloaded Wang resin and a set of carboxylic acids. The developed methodology facilitates the preparation of several structurally-diverse acylglycines with high yields and purity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.118
• 作为产物：
  描述：

  丁酸 、 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.17h， 生成 甲基N-3-丁烯酰甘氨酸酯
  参考文献：
  名称：

  Solid phase synthesis of acylglycine human metabolites

  摘要：

  Acylglycines represents a large and important class of human metabolites. They are often used in medicine to identify fatty acid oxidation disorders. A highly efficient solid phase synthesis approach to obtain these clinically important compounds is developed via coupling reaction between glycine-preloaded Wang resin and a set of carboxylic acids. The developed methodology facilitates the preparation of several structurally-diverse acylglycines with high yields and purity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.118

文献信息

• Trimethylamine-N-oxide as biomarker for the predisposition for weight gain and obesity
  申请人：Nestec S.A.

  公开号：US10094819B2

  公开（公告）日：2018-10-09

  The present invention relates generally to the field of nutrition and health. In particular, the present invention relates to a new biomarker, its use and a method that allows it to diagnose the likelihood to resist diet induced weight gain, and/or to be susceptible to a diet induced weight gain. For example, the biomarker may be trimethylamine-N-oxide.

  本发明一般涉及营养和健康领域。特别是，本发明涉及一种新的生物标志物、其用途和方法，该生物标志物可用于诊断抵抗节食引起的体重增加的可能性和/或易受节食引起的体重增加影响的可能性。例如，生物标志物可以是三甲胺-N-氧化物。
• Metabolic biomarkers of autism
  申请人：Wisconsin Alumni Research Foundation

  公开号：US10330688B2

  公开（公告）日：2019-06-25

  This invention provides methods and biomarkers for diagnosing autism by identifying cellular metabolites differentially produced in autistic patient samples versus non-autistic controls. Methods for identifying a unique profile of metabolites present or secreted in brain tissue, cerebrospinal fluid, plasma, or biofluids of autistic samples are described herein. The individual metabolites or a pattern of secreted metabolites provides metabolic signatures of autism, which can be used to provide a diagnosis thereof.

  本发明提供了通过鉴定自闭症患者样本与非自闭症对照组样本中产生的细胞代谢物差异来诊断自闭症的方法和生物标记物。本文描述了识别自闭症样本的脑组织、脑脊液、血浆或生物流体中存在或分泌的代谢物独特特征的方法。单个代谢物或分泌代谢物的模式提供了自闭症的代谢特征，可用于诊断自闭症。
• METABOLIC BIOMARKERS OF AUTISM
  申请人：Wisconsin Alumni Research Foundation

  公开号：EP2564194A1

  公开（公告）日：2013-03-06
• HEXANOYLGLYCINE AS BIOMARKER FOR THE PREDISPOSITION FOR WEIGHT GAIN AND OBESITY
  申请人：Nestec S.A.

  公开号：EP2929353B1

  公开（公告）日：2017-05-10
• TRIMETHYLAMINE-N-OXIDE AS BIOMARKER FOR THE PREDISPOSITION FOR WEIGHT GAIN AND OBESITY
  申请人：Nestec S.A.

  公开号：EP2929347A1

  公开（公告）日：2015-10-14