N-2-bromo-2-methylpropionyl-β-alanine | 1433633-58-9

• 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
• 英文名称: N-2-bromo-2-methylpropionyl-β-alanine
• 英文别名: N-α-bromoisobutyryl-β-alanine；3-[(2-Bromo-2-methylpropanoyl)amino]propanoic acid；3-[(2-bromo-2-methylpropanoyl)amino]propanoic acid
• CAS: 1433633-58-9
• 化学式: C₇H₁₂BrNO₃
• 分子量: 238.081
• InChiKey: XIQRPCUZCKGPAE-UHFFFAOYSA-N

物化性质

• 沸点：
  413.0±30.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 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：

  N-2-bromo-2-methylpropionyl-β-alanine 、 (2-羟基苯基)二苯基膦 在 N,N'-二环己基碳二亚胺 、 DPTS 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 N-2-bromoisobutyryl-β-alanine 2-(diphenylphosphino)phenyl ester
  参考文献：
  名称：

  HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS

  摘要：

  本发明提供了含有亲水基团和一种或多种功能剂的多臂高分子量聚合物，以及制备这种聚合物的方法。

  公开号：

  US20140024776A1
• 作为产物：
  描述：

  N-2-bromoisobutyryl-β-alanine t-butyl ester 在 甲酸 作用下， 以1.66 g的产率得到N-2-bromo-2-methylpropionyl-β-alanine
  参考文献：
  名称：

  HIGH MOLECULAR WEIGHT ZWITTERION-CONTAINING POLYMERS

  摘要：

  本发明提供了含有亲水基团和一种或多种功能剂的多臂高分子量聚合物，以及制备这种聚合物的方法。

  公开号：

  US20140024776A1

文献信息

• Enzyme–Polymer Conjugates as Robust Pickering Interfacial Biocatalysts for Efficient Biotransformations and One‐Pot Cascade Reactions
  作者：Zhiyong Sun、Ulrich Glebe、Himanshu Charan、Alexander Böker、Changzhu Wu

  DOI：10.1002/anie.201806049

  日期：2018.10.15

  development of Pickering interfacial catalysis (PIC) at liquid–liquid interfaces with chemocatalysts, the use of unstable biocatalysts at emulsion interfaces remains a technical challenge. Herein, we present a Pickering interfacial biocatalysis (PIB) platform based on robust and recyclable enzyme–polymer conjugates that act as both catalytic sites and stabilizers at the interface of Pickering emulsions. The

  尽管与化学催化剂在液-液界面处的Pickering界面催化（PIC）迅速发展，但在乳液界面处使用不稳定的生物催化剂仍然是一项技术挑战。在此，我们介绍一种基于健壮且可回收的酶-聚合物共轭物的Pickering界面生物催化（PIB）平台，该共轭物既充当Pickering乳液界面的催化位点又充当稳定剂。共轭物是通过生长聚（N-异丙基丙烯酰胺）在生理条件下使用易碎的酶苯甲醛裂解酶。温和的原位偶联过程保留了酶的结构，偶联物被用于将水-有机两相体系乳化成稳定的Pickering乳液，与之相比，界面面积明显增大，催化性能提高了270倍。未乳化的两相系统。PIB系统可以重复使用多次。还制造了其他酶的结合物，并将其用于级联反应。
• [EN] POLYMER-BASED PROTEIN ENGINEERING METHODS TO RATIONALLY TUNE ENZYME ACTIVITY, PH-DEPENDENCE AND STABILITY<br/>[FR] TECHNIQUES D'INGÉNIERIE DES PROTÉINES FAISANT APPEL À UN POLYMÈRE POUR AJUSTER RATIONNELLEMENT L'ACTIVITÉ, LA DÉPENDANCE VIS-À-VIS DU PH ET LA STABILITÉ DES ENZYMES
  申请人：CARNEGIE MELLON INIVERSITY

  公开号：WO2014176279A1

  公开（公告）日：2014-10-30

  Using a novel water-soluble, active ester amide-containing functionalized controlled radical polymerization initiator, stimuli responsive polymers have been grown from the surface of a protein, exemplified by chymotrypsin or any protein having surface amino acids that will covalently bind to the active ester amide-containing functionalized initiator. It is shown that changes in temperature or pH can change the conformation of the polymer surrounding the enzyme, which in turn enabled the rational tailoring of enzyme activity and stability. This method has afforded an increase in the activity and stability of the enzyme by an order of magnitude at pH's where the enzyme is usually inactive or unstable. Multimodal temperature responsive protein-block copolymer conjugates are described.

  利用一种新型水溶性、活性酯酰胺含有的功能化受控自由基聚合引发剂，从蛋白质表面生长出了响应刺激的聚合物，以胰蛋白酶或任何具有表面氨基酸的蛋白质为例，这些氨基酸将共价结合到含有活性酯酰胺的功能化引发剂上。研究表明，温度或pH值的变化可以改变围绕酶的聚合物的构象，从而使酶活性和稳定性得以合理调整。该方法使酶的活性和稳定性在酶通常无法活动或不稳定的pH值下增加了一个数量级。描述了多模态温度响应蛋白质-嵌段共聚物共轭物。
• RNA-Polymer Hybrids via Direct and Site-Selective Acylation with the ATRP Initiator and Photoinduced Polymerization
  作者：Jaepil Jeong、Xiaolei Hu、Hironobu Murata、Grzegorz Szczepaniak、Marta Rachwalak、Anna Kietrys、Subha R. Das、Krzysztof Matyjaszewski

  DOI：10.1021/jacs.3c03757

  日期：2023.7.5

  reagent that allows for direct incorporation of the atom transfer radical polymerization (ATRP) initiator into both short synthetic oligoribonucleotides and natural biomass RNA extracted from torula yeast. The acylation was performed in a quantitative yield. The resulting initiator-functionalized RNAs were used for grafting polymer chains from the RNA by photoinduced ATRP, resulting in RNA-polymer hybrids

  将合成聚合物与 RNA 相结合，为创建具有非典型功能的基于 RNA 的材料铺平了道路。我们开发了一种酰化试剂，可以将原子转移自由基聚合 (ATRP) 引发剂直接掺入短合成寡核糖核苷酸和从圆酵母中提取的天然生物质 RNA 中。酰化以定量产率进行。所得引发剂功能化的RNA用于通过光诱导ATRP从RNA接枝聚合物链，从而产生具有窄分子量分布的RNA-聚合物杂化物。RNA引发剂用于低聚(环氧乙烷)甲醚甲基丙烯酸酯、聚(乙二醇)二甲基丙烯酸酯和N的聚合。-异丙基丙烯酰胺单体，可产生 RNA 洗瓶刷、水凝胶和刺激响应材料。这种方法很容易适用于合成后和天然来源的 RNA，可用于设计各种基于 RNA 的大分子杂合体和组装体的特性，从而提供多种 RNA-聚合物杂合体。
• POLYMER-BASED PROTEIN ENGINEERING METHODS TO RATIONALLY TUNE ENZYME ACTIVITY, pH-DEPENDENCE AND STABILITY
  申请人：Russell Alan J.

  公开号：US20160101190A1

  公开（公告）日：2016-04-14

  Using a novel water-soluble, active ester amide-containing functionalized controlled radical polymerization initiator, stimuli responsive polymers have been grown from the surface of a protein, exemplified by chymotrypsin or any protein having surface amino acids that will covalently bind to the active ester amide-containing functionalized initiator. It is shown that changes in temperature or pH can change the conformation of the polymer surrounding the enzyme, which in turn enabled the rational tailoring of enzyme activity and stability. This method has afforded an increase in the activity and stability of the enzyme by an order of magnitude at pH's where the enzyme is usually inactive or unstable. Multimodal temperature responsive protein-block copolymer conjugates are described.
• NON-AQUEOUS ENZYME-POLYMER CONJUGATE SOLUTIONS AND RELATED METHODS
  申请人：CARNEGIE MELLON UNIVERSITY

  公开号：US20180051271A1

  公开（公告）日：2018-02-22

  An enzyme-polymer conjugate shows increased activity and molecular dissolution in non-aqueous solvents enabling enzyme mediated catalysis in non-aqueous solutions. The inventions described in this specification relate to enzyme-polymer conjugates, organic solutions comprising enzyme-polymer conjugates, methods of dissolving enzyme-polymer conjugates in organic solvents, and methods of using enzyme-polymer conjugates, for example, in catalysis applications. The inventions described in this specification address the problems of insolubility and decreased activity of enzymes in non-aqueous solutions comprising, for example, organic solvents or ionic liquids.