Cys-Glu | 87092-47-5

• 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: Cys-Glu
• 英文别名: L-Cysteinyl-L-glutamic acid；(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]pentanedioic acid
• CAS: 87092-47-5
• 化学式: C₈H₁₄N₂O₅S
• 分子量: 250.276
• InChiKey: BUXAPSQPMALTOY-WHFBIAKZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.4
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  131
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Cys-Glu 在 双氧水 作用下， 以 水 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  探测生物有机自由基稳定性的质谱方法

  摘要：

  糖基是酶催化中重要的生物有机基团。在本文中，我们表明，甘氨酰基类基团（X-的稳定性。 CH-Y）可在分子水平上通过改变X和Y取代基被调谐并通过质谱实验探测。这种方法是基于半胱氨酸亚磺酰基的气相离解基团（X-的Cys -Y）通过C的均裂离子α  Ç β键。这种碎片化会在失去CH 2 SO时产生一个甘氨酰型自由基，而这种损失的程度与所形成自由基的稳定性密切相关。理论计算表明的C中的能量α  Ç β键的均相分解主要受巯基化作用而不是母体亚磺酰基自由基的稳定性的影响，主要受巯基自由基产物的稳定性的影响。这一发现提出了一种新颖的实验方法来探测生物有机基团的稳定性，这可能会拓宽我们对这些重要的反应性中间体的理解。

  DOI：

  10.1002/anie.201310480
• 作为产物：
  描述：

  dibenzyl L-glutamate 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 生成 Cys-Glu
  参考文献：
  名称：

  Gnichtel,H.; Lautsch,W., Chemische Berichte, 1965, vol. 98, p. 1647 - 1654

  摘要：

  DOI：

文献信息

• Identification of Novel<scp>L</scp>-Amino Acid α-Ligases through Hidden Markov Model-Based Profile Analysis
  作者：Akihiro SENOO、Kazuhiko TABATA、Yoshiyuki YONETANI、Makoto YAGASAKI

  DOI：10.1271/bbb.90644

  日期：2010.2.23

  l-Amino acid α-ligase (Lal), catalyzing the formation of α-dipeptides from unprotected l-amino acids in an ATP-dependent manner, is used in cost-effective fermentative production of dipeptides. We searched for novel Lals by in silico screening using Hidden Markov Model-based profile analysis, and identified five novel Lals that showed low similarity and different substrate specificity from known Lals.

  l- 氨基酸 α-连接酶（Lal）以 ATP 依赖性方式催化未受保护的 l- 氨基酸形成 α-二肽，被用于经济高效的二肽发酵生产。我们利用基于隐马尔可夫模型的剖面分析方法，通过硅筛选寻找新型拉尔，结果发现了五种新型拉尔，它们与已知拉尔的相似性较低，底物特异性也不同。
• Bioactivation of Benzylamine to Reactive Intermediates in Rodents:  Formation of Glutathione, Glutamate, and Peptide Conjugates
  作者：Abdul E. Mutlib、Patricia Dickenson、Shiang-Yuan Chen、Robert J. Espina、J. Scott Daniels、Liang-Shang Gan

  DOI：10.1021/tx020063q

  日期：2002.9.1

  pathways, including those independent of P450, were found to produce these intermediates. A previously undocumented pathway included the formation of a new carbon-nitrogen bond that led to a potentially reactive intermediate, Ar-CH(2)-NH(CO)-X, capable of interacting with various nucleophiles. The origin of this reactive intermediate is postulated to occur via the formation of either a formamide or carbamic

  在大鼠中研究了苄胺的体内和体外处置。苄胺仅在很小的程度上被大鼠肝脏的亚细胞部分代谢。相反，它在大鼠体内被广泛代谢。用稳定的同位素标记的苄胺进行的体内研究能够快速质谱鉴定大鼠胆汁和尿液中存在的代谢物。苄胺的主要代谢产物是由甘氨酸与苯甲酸结合形成的马尿酸。LC / MS分析从d（0）：d（7）-或d（0）：d（2）-苄胺1：1等摩尔混合物中摄取的大鼠胆汁和尿液显示，在其中存在一些谷胱甘肽加合物除马尿酸代谢物外。各种谷胱甘肽加合物的存在表明苄胺被代谢为许多反应性中间体。发现各种代谢途径，包括独立于P450的那些途径，都可产生这些中间体。以前未记录的途径包括形成新的碳-氮键，该键导致潜在的反应性中间体Ar-CH（2）-NH（CO）-X，能够与各种亲核试剂相互作用。假定该反应性中间体的起源是通过甲酰胺或氨基甲酸代谢物的形成而发生的。该中间体Ar-CH（2）-NH（CO）-X与亲核试剂反应生成的代谢产物包括S-
• PNEUMATIC TOURNIQUET
  申请人：BIONUMERIK PHARMACEUTICALS, INC.

  公开号：US20160106439A1

  公开（公告）日：2016-04-21

  The present invention discloses and claims novel pharmaceutical compositions, methods, and kits used for the contemporaneous, heterogeneously-oriented, multi-targeted therapeutic modification and/or modulation of cellular metabolic anomalies or other undesirable physiological conditions, including cancer, where the normal cellular biochemical function and/or the expression levels of various proteins/enzymes (i.e., the target molecules) are abnormal and must be modified and/or modulated in order to treat these metabolic anomalies or other undesirable physiological conditions, including cancer. Administration of the most effective medicinal agent(s) to be administered in combination with the administration of the sulfur-containing, amino acid-specific small molecules is disclosed.

  本发明揭示和声明了新型药物组合物、方法和工具包，用于同时、异质性定向、多靶向治疗修饰和/或调节细胞代谢异常或其他不良生理状况，包括癌症，在其中正常细胞生化功能和/或各种蛋白质/酶（即目标分子）的表达水平异常，必须修饰和/或调节以治疗这些代谢异常或其他不良生理状况，包括癌症。揭示了与施用含有硫的、氨基酸特异性小分子的组合最有效的药物剂量的管理。
• UTILISATION D'UN ADDITIF POUR AMELIORER LA QUALITE DE BOISSONS A BASE DE MOUTS VEGETAUX
  申请人：Oenotropic Innovation

  公开号：EP3687306A1

  公开（公告）日：2020-08-05
• CONTEMPORANEOUS, HETEROGENEOUSLY-ORIENTED, MULTI-TARGETED THERAPEUTIC MODIFICATION AND/OR MODULATION OF DISEASE BY ADMINISTRATION OF SULFUR-CONTAINING, AMINO ACID-SPECIFIC SMALL MOLECULES
  申请人：Hausheer Frederick H.

  公开号：US20170007561A1

  公开（公告）日：2017-01-12

  The present invention discloses and claims novel pharmaceutical compositions, methods, and kits used for the contemporaneous, heterogeneously-oriented, multi-targeted therapeutic modification and/or modulation of cellular metabolic anomalies or other undesirable physiological conditions, including cancer, where the normal cellular biochemical function and/or the expression levels of various proteins/enzymes (i.e., the target molecules) are abnormal and must be modified and/or modulated in order to treat these metabolic anomalies or other undesirable physiological conditions, including cancer. The aforementioned target molecules, by way of non-limiting example, include: anaplastic lymphoma kinase (ALK), mesenchymal epithelial transition (MET) kinase, the receptor tyrosine kinase (ROS1), epidermal growth factor receptor (EGFR), peroxiredoxin (Prx), excision repair cross-complementing protein 1 (ERCC1), insulin growth factor 1 receptor (IGF1R), ribonucleotide reductase (RNR), tubulin, farnesyltransferase, and various other classes of proteins/enzymes. Additionally, the present invention discloses and claims methods and kits for (a) the selection of subjects for treatment; (b) the determination of the most effective medicinal agent(s) to be administered in combination with the administration of the sulfur-containing, amino acid-specific small molecules of the present invention; (c) the dosage of the medicinal agent(s) to be administered; (d) the determination of the length and/or number of treatment cycles; (e) the adjustment of the specific medicinal agent(s) used and the dosage administered during treatment; and/or (f) ascertaining the potential treatment responsiveness of the specific disease to the medicinal agents (s) selected for administration to a subject suffering from one or more types of: (i) cancer or (ii) metabolic anomalies or other undesirable physiological conditions by quantitatively determining the level of the abnormal biochemical activity and/or abnormal expression of any combination of the aforementioned target molecules; by use of quantitative measurement methodologies including, but not limited to: fluorescence in situ hybridization (FISH), nucleic acid microarray analysis, immunohistochemistry (IHC), radioimmunoassay (RIA), quantitative immunofluorescence and/or automated quantitative analysis; ELISA and flow cytometry-based analyses; PCR coupled with MS approaches; mass spectroscopy-based methods; and X-ray crystallography, and other related analytic methodologies.