N-α-L-aspartyl-L-phenylalaninemethyl ester | 22839-82-3

• 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-α-L-aspartyl-L-phenylalaninemethyl ester
• 英文别名: α-L-aspartyl-L-phenylalanine-β-methyl ester；(β-O-Methyl-Asp)-Phe；(2S)-2-[[(2S)-2-amino-4-methoxy-4-oxobutanoyl]amino]-3-phenylpropanoic acid
• CAS: 22839-82-3
• 化学式: C₁₄H₁₈N₂O₅
• 分子量: 294.307
• InChiKey: BFYOJZZBGRHODR-QWRGUYRKSA-N

物化性质

• 沸点：
  567.5±50.0 °C(Predicted)
• 密度：
  1.280±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  119
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-α-L-aspartyl-L-phenylalaninemethyl ester 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 74.0h， 生成 L-alpha-天冬氨酰-L-苯丙氨酸甲酯单盐酸盐
  参考文献：
  名称：

  An N-carboxy anhydride (NCA) route to aspartame

  摘要：

  DOI：

  10.1021/jo00224a072
• 作为产物：
  描述：

  3-苯基-L-丙氨酸苄酯 在 钯 氢气 、 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 生成 N-α-L-aspartyl-L-phenylalaninemethyl ester
  参考文献：
  名称：

  一些二肽的结构-味道关系。

  摘要：

  DOI：

  10.1021/ja01038a046

文献信息

• Disaccharide-driven transition of macroscopic properties: from molecular recognition to glycopeptide enrichment
  作者：Peng Ding、Xiuling Li、Guangyan Qing、Taolei Sun、Xinmiao Liang

  DOI：10.1039/c5cc06279a

  日期：——

  We report a smart copolymer system for disaccharide recognition. The interaction with the disaccharide induces the obvious wettability and adhesion force changes of the copolymer film, which provides great advantage in glycopeptide enrichment.

  我们报道了一种智能共聚物系统，用于二糖识别。与二糖的相互作用引起了共聚物薄膜的明显润湿性和粘附力变化，这在糖肽富集中提供了巨大优势。
• Recombinant polynucleotide
  申请人：Mihara Yasuhiro

  公开号：US20050227325A1

  公开（公告）日：2005-10-13

  A highly expressible recombinant polynucleotide is constructed. The recombinant polynucleotide contains a nucleotide sequence encoding a signal peptide derived from the N-terminal region of acid phosphatase present in bacterium belonging to Enterobacteriaceae. In addition the recombinant polynucleotide may contain a nucleotide sequence encoding a protein integrated downstream of the nucleotide sequence encoding the signal peptide. A transformant is constructed by introducing the recombinant polynucleotide to produce the protein.

  构建了高度表达的重组多核苷酸。该重组多核苷酸包含一个核苷酸序列，其编码信号肽源自属于肠杆菌科的细菌中酸性磷酸酶的N-末端区域。此外，重组多核苷酸可能包含在编码信号肽的核苷酸序列下游整合编码蛋白的核苷酸序列。通过引入重组多核苷酸来构建转化体，以产生蛋白质。
• MUTANT PROTEIN HAVING THE PEPTIDE-SYNTHESIZING ACTIVITY
  申请人：ABE Isao

  公开号：US20070292916A1

  公开（公告）日：2007-12-20

  The present invention aims at providing an excellent peptide-synthesizing protein and a method for efficiently producing a peptide. The peptide is synthesized by reacting an amine component and a carboxy component in the presence of at least one of proteins shown in the following (I) and (II). (I) The mutant protein having an amino acid sequence comprising one or more mutations from any of the mutations 1 to 68, and the mutations 239 to 290 and 324 to 377 in an amino acid sequence of SEQ ID NO:2. (II) The mutant protein having an amino acid sequence comprising one or more mutations from any of the mutations L1 to L335 and M1 to M642 in an amino acid sequence of SEQ ID NO:208

  本发明旨在提供一种优秀的肽合成蛋白质及高效生产肽的方法。在以下（I）和（II）所示的蛋白质的至少一种存在下，通过在胺组分和羧组分存在下反应合成肽。其中，（I）为突变蛋白质，其氨基酸序列包括来自于突变1至突变68、突变239至突变290和突变324至突变377的一个或多个突变；（II）为突变蛋白质，其氨基酸序列包括来自于L1至L335和M1至M642的一个或多个突变。
• Mutant protein having the peptide-synthesizing activity
  申请人：Abe Isao

  公开号：US20070190602A1

  公开（公告）日：2007-08-16

  The present invention aims at providing an excellent peptide-synthesizing protein and a method for efficiently producing a peptide. The peptide is synthesized by reacting an amine component and a carboxy component in the presence of at least one of proteins shown in the following (I) and (II). (I) The mutant protein having an amino acid sequence comprising one or more mutations from any of the mutations 1 to 68, and the mutations 239 to 290 and 324 to 377 in an amino acid sequence of SEQ ID NO:2. (II) The mutant protein having an amino acid sequence comprising one or more mutations from any of the mutations L1 to L335 and M1 to M642 in an amino acid sequence of SEQ ID NO:208

  本发明旨在提供一种优异的合成肽蛋白质及高效生产肽的方法。在以下(I)和(II)所示的蛋白质的存在下，通过反应胺组分和羧基组分来合成肽。(I)突变蛋白质的氨基酸序列包括来自突变1到68和突变239到290以及SEQ ID NO:2的氨基酸序列中的突变324到377中的一个或多个突变。(II)突变蛋白质的氨基酸序列包括来自突变L1到L335和M1到M642和SEQ ID NO:208的氨基酸序列中的一个或多个突变。
• Method of preparing alpha-l-aspartyl-l-phenylalanine methyl ester and its hydrochloride
  申请人：AJINOMOTO CO., INC.

  公开号：EP0127977A2

  公开（公告）日：1984-12-12

  α-L-aspartyl-L-phenylalanine methyl ester and its hydrochloride are prepared by a process which comprises dissolving α-L-aspartyl-L-phenylalanine β-methyl ester in a methanol/hydrochloric acid mixture solvent which contains, when hydrochloric acid is expressed in terms of concentrated hydrochloric acid and water, Oto 20% by volume of methanol, 8 to 55% by volume of concentrated hydrochloric acid and water (balanced) in a concentration from 0.01 mol/dl to 0.3 mol/dl; holding said solution at 0 to 60°C to effect intramolecular ester exchange reaction and crystallize outthe formed a-L-aspartyl-L-phenylalanine methyl ester as its hydrochloride; isolating said hydrochloride; and obtaining, when required, the free ester by neutralization with an alkali. The ester prepared by this process is useful as a sweetener.

  α-L-天冬氨酰-L-苯丙氨酸甲酯及其盐酸盐的制备方法包括将α-L-天冬氨酰-L-苯丙氨酸β-甲酯溶解在甲醇/盐酸混合溶剂中，当盐酸以浓盐酸和水表示时，甲醇的体积百分比为0至20%，浓盐酸和水的体积百分比为8至55%（平衡），浓度为0.01摩尔/分升至0.3摩尔/分升；将所述溶液保持在0至60°C，以进行分子内酯交换反应，并将形成的a-L-天冬氨酰-L-苯丙氨酸甲酯结晶为其盐酸盐；分离所述盐酸盐；需要时，用碱中和以获得游离酯。这种工艺制备的酯可用作甜味剂。