aminooxy-WR-OCH3 | 875402-05-4

• 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: aminooxy-WR-OCH3
• 英文别名: N-[(aminooxy)acetyl]tryptophanylarginine methyl ester；methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoate
• CAS: 875402-05-4
• 化学式: C₂₀H₂₉N₇O₅
• 分子量: 447.494
• InChiKey: XWHZAQPLTFBUSK-HOTGVXAUSA-N

物化性质

• 密度：
  1.44±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  32
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  200
• 氢给体数：
  6
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  chitotriose 、 aminooxy-WR-OCH3 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  一种有效的方法来发现针对糖基转移酶的有效抑制剂

  摘要：

  我们描述了一种标准化的方法，用于通过高通量定量MALDI-TOFMS筛选集中的化合物库来搜索糖基转移酶的有效和选择性抑制剂，该化合物由所需的叠氮基糖核苷酸与各种炔烃进行1,3-偶极环加成而构建。将具有稳定同位素的氨氧基官能化试剂与寡糖缀合，以提供糖肽作为具有增强的离子敏感性的受体底物。新底物的电离效能增强，可在糖基供体底物存在的情况下，基于MALDI-TOFMS进行酶促糖基化的简便分析和定量分析。一种非天然的合成糖核苷酸被确定为大鼠重组α2,3-（N）-唾液酸转移酶（α2,3ST，IC的第一个高度特异性抑制剂50 = 8.2μM），而该化合物被证明是大鼠重组α2,6-（N）-唾液酸转移酶（α2,6ST，K m = 125μM）的有利底物。鉴定两种重组人重组α1,3-岩藻糖基转移酶V（α1,3-FucT，K i = 293 nM）和α1,6-岩藻糖基转移酶VIII（α1,6-FucT，K i

  DOI：

  10.1021/jm100612r

文献信息

• METHOD OF PREPARING SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD OF ANALYZING SUGAR CHAIN
  申请人：Shimaoka Hideyuki

  公开号：US20110089033A1

  公开（公告）日：2011-04-21

  A method of preparing a sugar chain sample, for reducing unreacted labeling reagent in a sample solution containing a labeled sugar chain, includes (process 1) a process of bringing the sample solution containing the labeled sugar chain into contact with monolithic silica, so as to allow the monolithic silica to adsorb a sugar chain component; (process 2) a process of washing the monolithic silica with a washing liquid; and (process 3) a process of bringing the monolithic silica into contact with an eluant, so as to elute the adsorbed sugar chain.

  一种制备糖链样品的方法，用于减少样品溶液中含有标记的糖链的未反应标记试剂，包括（过程1）将含有标记的糖链的样品溶液与单体硅胶接触，使单体硅胶吸附糖链成分；（过程2）用洗涤液洗涤单体硅胶；以及（过程3）将单体硅胶与洗脱剂接触，以洗脱吸附的糖链。
• METHOD FOR PREPARATION OF SUGAR CHAIN SAMPLE, SUGAR CHAIN SAMPLE, AND METHOD FOR ANALYSIS OF SUGAR CHAIN
  申请人：Sumitomo Bakelite Co., Ltd.

  公开号：EP2295962A1

  公开（公告）日：2011-03-16

  A method of preparing a sugar chain sample, for reducing unreacted labeling reagent in a sample solution containing a labeled sugar chain, includes (process 1) a process of bringing the sample solution containing the labeled sugar chain into contact with monolithic silica, so as to allow the monolithic silica to adsorb a sugar chain component; (process 2) a process of washing the monolithic silica with a washing liquid; and (process 3) a process of bringing the monolithic silica into contact with an eluant, so as to elute the adsorbed sugar chain.

  一种制备糖链样品的方法，用于减少含有已标记糖链的样品溶液中未反应的标记试剂，包括（过程1）使含有已标记糖链的样品溶液与整体二氧化硅接触，从而使整体二氧化硅吸附糖链组分；(过程 2）用洗涤液洗涤整体二氧化硅；以及 过程 3）使整体二氧化硅与洗脱剂接触，以洗脱吸附的糖链。
• COMPOUND FOR LABELLING SUGAR CHAIN SAMPLE
  申请人：Sumitomo Bakelite Co.,Ltd.

  公开号：EP3034495A1

  公开（公告）日：2016-06-22

  A compound having the following structure has been found out: (R1 and R2 each independently represent any one of a hydrogen atom and an alkyl group).

  发现了一种具有以下结构的化合物： (R1和R2各自独立地代表氢原子和烷基中的任意一个）。
• METHOD FOR ANALYSIS OF SUGAR CHAINS BY MASS SPECTROMETRY
  申请人：SHIMAOKA Hideyuki

  公开号：US20120070902A1

  公开（公告）日：2012-03-22

  Provided is a highly accurate means for analyzing a sugar chain contained in a biological sample by MALDI-TOF MS or such a mass spectrometry method. In the present invention, it was found to be possible to improve the ionization efficiency of a sugar chain by methylating the hydroxyl groups of the sample sugar chain before conducting the MALDI-TOF MS analysis, and by so doing to carry out quantitative analysis and structural analysis of the sample sugar chain with high accuracy.
• COMPOUND FOR LABELING SUGAR CHAIN SAMPLE
  申请人：SUMITOMO BAKELITE CO., LTD.

  公开号：US20160168196A1

  公开（公告）日：2016-06-16

  A compound having the following structure has been found out: (R 1 and R 2 each independently represent any one of a hydrogen atom and an alkyl group).