N-acetyl-3-chloro-L-tyrosine | 17597-65-8

• 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: N-acetyl-3-chloro-L-tyrosine
• 英文别名: (2S)-2-acetamido-3-(3-chloro-4-hydroxyphenyl)propanoic acid
• CAS: 17597-65-8
• 化学式: C₁₁H₁₂ClNO₄
• 分子量: 257.674
• InChiKey: APDUUXFQFXCZKF-VIFPVBQESA-N

物化性质

• 沸点：
  528.0±50.0 °C(Predicted)
• 密度：
  1.407±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-acetyl-3-chloro-L-tyrosine 在 soybean peroxidase (0.1 unit/μmol) 、 双氧水 作用下， 以 乙腈 为溶剂， 反应 0.33h， 以30%的产率得到(S)-2-Acetylamino-3-[5'-((S)-2-acetylamino-2-carboxy-ethyl)-5,3'-dichloro-6,2'-dihydroxy-biphenyl-3-yl]-propionic acid
  参考文献：
  名称：

  Enzymatic oxidative coupling of monohalogenated tyrosine derivatives

  摘要：

  The regioselectivity of peroxidase-catalyzed oxidative phenolic coupling of monohalogenated tyrosine derivatives could be altered by the halogen substituent and the enzyme-substrate ratio. This ability to shift the coupling pattern (C-C vs. C-O) provides chemists with added versatility for synthetic applications. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02183-2
• 作为产物：
  描述：

  N-乙酰-L-酪氨酸 在 N-氯代丁二酰亚胺 、 对甲苯磺酸 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以96%的产率得到N-acetyl-3-chloro-L-tyrosine
  参考文献：
  名称：

  Facile syntheses of 3-halo and mixed 3,5-dihalo analogues of N-acetyl-l-tyrosine via sulfonic acid-catalysed regioselective monohalogenation

  摘要：

  The combination of catalytic amounts of p-toluenesulfonic acid and 1 equiv of N-halosuccinimide afforded highly selective ring-halogenation of N-acetyl-L-tyrosine, furnishing either N-acetyl-3-halo-L-tyrosine analogues or mixed 3,5-dihalo derivatives in a one-pot reaction with excellent yields at room temperature. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.09.123

文献信息

• Classification of the oncofetal fibronection level for the indication of diseases and other conditions
  申请人：ADEZA BIOMEDICAL CORPORATION

  公开号：EP2299275A2

  公开（公告）日：2011-03-23

  A method for classifying the level of oncofetal fibronectin in a sample comprises measuring the amount of an oncofetal fibronectin indicating molecule in a sample; comparing the amount of oncofetal fibronectin indicating molecule in the sample to two or more threshold levels derived from the source of the oncofetal fibronectin and classifying the amount of oncofetal fibronectin indicating molecule in the sample according to the highest threshold level that is less than or equal to amount of the oncofetal fibronectin indicating molecule in the sample. The lower threshold may be 50 ng/ml and the higher threshold may be 150 ng/ml. A kit comprises a fibronectin or oncofetal fibronectin binding partner, a non-specific binder, a solid support containing a non-specific binding surface or a sample collection device; and a system for classifying the subject with respect to multiple thresholds.

  一种对样品中胎盘上纤维连接蛋白水平进行分类的方法，包括测量样品中胎盘上纤维连接蛋白指示分子的量； 将样本中的胎盘上纤维连接蛋白指示分子的量与从胎盘上纤维连接蛋白来源中得出的两个或多个阈值水平进行比较，并根据小于或等于样本中胎盘上纤维连接蛋白指示分子的量的最高阈值水平对样本中的胎盘上纤维连接蛋白指示分子的量进行分类。较低阈值可为 50 纳克/毫升，较高阈值可为 150 纳克/毫升。试剂盒包括纤维连接蛋白或胎盘上纤维连接蛋白结合伴侣、非特异性粘合剂、含有非特异性结合表面的固体支持物或样品收集装置；以及根据多个阈值对受试者进行分类的系统。
• Method for detecting conditions indicative of sepsis
  申请人：——

  公开号：US20030100122A1

  公开（公告）日：2003-05-29

  The disclosure describes a method for detecting conditions indicative of sepsis. In one embodiment of the invention, an increase in the level of 3-chlorotyrosine or 3-bromotyrosine from the normal level in a sample of body fluid or tissue is indicative of early sepsis or infection. In another embodiment of the invention, the level of 3-chlorotyrosine or 3-bromotyrosine is measured or monitored to determine the response to therapeutic treatment of the infective condition in which a reduction in the level that existed prior to the treatment is an early sign or indication that the treatment is working in vivo. In a preferred embodiment, the method of the invention is illustrated in a clinically relevant mouse model of sepsis.

  本发明描述了一种检测败血症迹象的方法。在本发明的一个实施方案中，体液或组织样本中的 3-氯酪氨酸或 3-溴酪氨酸水平从正常水平升高，表明早期败血症或感染。在本发明的另一个实施方案中，测量或监测 3-氯酪氨酸或 3-溴酪氨酸的水平是为了确定对感染性疾病治疗的反应，其中治疗前水平的降低是治疗在体内起作用的早期信号或迹象。在一个优选的实施方案中，本发明的方法在与临床相关的败血症小鼠模型中进行了说明。
• Methods for detecting oncofetal fibronectin
  申请人：Hussa Robert

  公开号：US20060024723A1

  公开（公告）日：2006-02-02

  Methods and products for the detection of oncofetal fibronectin indicating molecules in samples are provided. Methods for imaging of oncofetal fibronectin are provided. In some methods provided herein, the sample is treated with a reagent and/or contacted with a non-specific binder. Provided are methods for testing subjects to ascertain health and disease status and to assess the risk of developing a disease or condition. Methods for detecting the presence of oncofetal fibronectin indicating molecules by a variety of methods such as immunoassays and mass spectrometry also are provided. Methods and products for detection of oncofetal fibronection for selection of concepti are provided.

  提供了检测样品中胎盘上纤维连接蛋白指示分子的方法和产品。还提供了胎盘上纤维连接蛋白的成像方法。在本文提供的某些方法中，样品经试剂处理和/或与非特异性粘合剂接触。本发明提供了用于检测受试者以确定健康和疾病状态以及评估罹患疾病或病症风险的方法。还提供了通过免疫测定和质谱分析等多种方法检测胎盘上纤维连接蛋白指示分子存在的方法。此外，还提供了检测胎盘上纤维蛋白的方法和产品，用于选择受孕者。
• Oncofetal fibronectin as a marker for pregnancy-related indications
  申请人：Hussa Robert

  公开号：US20060024725A1

  公开（公告）日：2006-02-02

  Methods and products for the detection of oncofetal fibronectin indicating molecules in samples are provided. Methods for imaging of oncofetal fibronectin are provided. In some methods provided herein, the sample is treated with a reagent and/or contacted with a non-specific binder. Provided are methods for testing subjects to ascertain health and disease status and to assess the risk of developing a disease or condition. Methods for detecting the presence of oncofetal fibronectin indicating molecules by a variety of methods such as immunoassays and mass spectrometry also are provided. Methods and products for detection of oncofetal fibronection for selection of concepti are provided.

  提供了检测样品中胎盘上纤维连接蛋白指示分子的方法和产品。还提供了胎盘上纤维连接蛋白的成像方法。在本文提供的某些方法中，样品经试剂处理和/或与非特异性粘合剂接触。本发明提供了用于检测受试者以确定健康和疾病状态以及评估罹患疾病或病症风险的方法。还提供了通过免疫测定和质谱分析等多种方法检测胎盘上纤维连接蛋白指示分子存在的方法。此外，还提供了检测胎盘上纤维蛋白的方法和产品，用于选择受孕者。
• Samples for detection of oncofetal fibronectin and uses thereof
  申请人：Fischer-Colbrie Mark

  公开号：US20060024722A1

  公开（公告）日：2006-02-02

  Methods and products for the detection of oncofetal fibronectin indicating molecules in samples are provided. Methods for imaging of oncofetal fibronectin are provided. In some methods provided herein, the sample is treated with a reagent and/or contacted with a non-specific binder. Provided are methods for testing subjects to ascertain health and disease status and to assess the risk of developing a disease or condition. Methods for detecting the presence of oncofetal fibronectin indicating molecules by a variety of methods such as immunoassays and mass spectrometry also are provided. Methods and products for detection of oncofetal fibronection for selection of concepti are provided.

  提供了检测样品中胎盘上纤维连接蛋白指示分子的方法和产品。还提供了胎盘上纤维连接蛋白的成像方法。在本文提供的某些方法中，样品经试剂处理和/或与非特异性粘合剂接触。本发明提供了用于检测受试者以确定健康和疾病状态以及评估罹患疾病或病症风险的方法。还提供了通过免疫测定和质谱分析等多种方法检测胎盘上纤维连接蛋白指示分子存在的方法。此外，还提供了检测胎盘上纤维蛋白的方法和产品，用于选择受孕者。