N-(2-carboxy-ethyl)-L-phenylalanine | 56211-79-1

• 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-carboxy-ethyl)-L-phenylalanine
• 英文别名: N-(2-Carboxy-aethyl)-L-phenylalanin；(2S)-2-(2-carboxyethylamino)-3-phenylpropanoic acid
• CAS: 56211-79-1
• 化学式: C₁₂H₁₅NO₄
• 分子量: 237.255
• InChiKey: JJNKOTTTZLTYKO-JTQLQIEISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(2-carboxy-ethyl)-L-phenylalanine 、 copper(II) acetate monohydrate 生成 C₁₂H₁₃NO₄^(2-)*Cu⁽²⁺⁾*H₂O
  参考文献：
  名称：

  衍生自N-羧甲基和N-羧乙基氨基酸的Cu（II）络合物作为2-萘酚不对称氧化偶联的催化剂

  摘要：

  报道了衍生自N-羧甲基化和N-羧乙基化氨基酸的手性Cu（II）配合物的合成，表征和催化性能。配体前体是通过在水中用氯乙酸钠或3-氯丙酸钠钠对合适的手性氨基酸的钠盐进行单步N-烷基化制备的。通过Cu（CH 3 COO）2反应获得Cu（II）配合物在室温下剧烈搅拌或超声辐射下，用合适配体的水性或醇性悬浮液进行混合。Cu（II）化合物具有EPR，UV-vis，圆二色性和ESI-MS的特征。还通过单晶X射线衍射分析获得了两种制备的配合物的分子结构。描述了配合物在2-萘酚的不对称氧化偶合中的催化活性。在有氧条件下，使用碘化钾作为添加剂，所有化合物在乙醇/水混合物中均表现出中等活性，选择性和对映选择性。在最佳条件下，1,1'-联-2-萘酚（BINOL）的收率达到50％，而对映体过量达到约。48％。还描述了诸如配体取代基，溶剂，温度和添加剂等变量对催化活性的影响。在不存在碱的情况下，该络合物仅在碱金属碘

  DOI：

  10.1016/j.mcat.2019.110480
• 作为产物：
  描述：

  3-氧代丙酸 、 L-苯丙氨酸 生成 N-(2-carboxy-ethyl)-L-phenylalanine
  参考文献：
  名称：

  Kanao, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1946, vol. 66, p. 6

  摘要：

  DOI：

文献信息

• Triprenyl phenol compound, process for production of triprenyl phenol compound, and thrombolysis enhancer
  申请人：Hasumi Keiji

  公开号：US20090216028A1

  公开（公告）日：2009-08-27

  The present invention provides a triprenyl phenol compound represented by the following formula (II) and (III) and having a thrombolysis-enhancing activity, and an efficient method for producing the triprenyl phenol compound. In formula (II) and (III), R 1 represents an aromatic group having as a substituent or as a part of a substituent at least one member selected from the group consisting of a carboxyl group, a hydroxyl group, a sulfonic acid group and a secondary amino group, or an aromatic group which comprises a secondary amino group and may comprise nitrogen; R 4 in the general formula (III) represents an aromatic amino acid residue represented by the general formula (III-1) below; X represents —CHY—(CH 3 ) 2 Z; and Y and Z are respectively —H or —OH or together form a single bond: (III-1) wherein R 5 represents a hydroxyl group which may be present or absent; and n represents an integer of 0 or 1.

  本发明提供了一种由以下化学式（II）和（III）所代表的三倍萜酚化合物，具有增强溶栓活性，以及一种高效制备该三倍萜酚化合物的方法。在化学式（II）和（III）中，R1代表芳香基团，其作为取代基或取代基的一部分至少包括羧基、羟基、磺酸基和二级氨基组成的群中的一种，或者是包含二级氨基并可能包含氮的芳香基团；在通式（III）中，R4代表由通式（III-1）所表示的芳香氨基酸残基；X代表—CHY—（CH3）2Z；Y和Z分别为—H或—OH或形成单键：（III-1）其中，R5代表可能存在或不存在的羟基；n代表0或1的整数。
• TRIPRENYL PHENOL COMPOUND, PROCESS FOR PRODUCTION OF TRIPRENYL PHENOL COMPOUND, AND THROMBOLYSIS ENHANCER
  申请人：HASUMI Keiji

  公开号：US20120100579A1

  公开（公告）日：2012-04-26

  A triprenyl phenol compound represented by the following formula (II) and (III) and having a thrombolysis-enhancing activity, and an efficient method for producing the triprenyl phenol compound. In formula (II) and (III), R 1 represents an aromatic group having as a substituent or as a part of a substituent at least one member selected from the group consisting of a carboxyl group, a hydroxyl group, a sulfonic acid group and a secondary amino group, or an aromatic group which comprises a secondary amino group and may comprise nitrogen; R 4 in the general formula (III) represents an aromatic amino acid residue represented by the general formula (III-1) below; X represents —CHY—(CH 3 ) 2 Z; and Y and Z are respectively —H or —OH or together form a single bond: (III-1) wherein R 5 represents a hydroxyl group which may be present or absent; and n represents an integer of 0 or 1.

  以下为一种由式子（II）和（III）所代表的三倍半萜酚类化合物，具有促进溶血性的活性，以及一种高效的制备该三倍半萜酚类化合物的方法。在式子（II）和（III）中，R1代表一种芳香基团，其作为一个取代基或部分取代基，至少包含羧基、羟基、磺酸基和次级氨基中的一种，或者是包含次级氨基且可能包含氮的芳香基团；在一般式（III）中，R4代表由一般式（III-1）所表示的芳香氨基酸残基；X代表—CHY—（CH3）2Z；Y和Z分别代表—H或—OH，或者一起形成一个单键：（III-1）其中R5代表可能存在或不存在的羟基；n代表0或1的整数。
• Process for production of triprenyl phenol compounds
  申请人：Tokyo University of Agriculture and Technology TLO Co., Ltd.

  公开号：EP2508611A1

  公开（公告）日：2012-10-10

  The present invention provides a triprenyl phenol compound represented by the following formula (II) and (III) and having a thrombolysis-enhancing activity, and an efficient method for producing the triprenyl phenol compound. In formula (II) and (III), R1 represents an aromatic group having as a substituent or as a part of a substituent at least one member selected from the group consisting of a carboxyl group, a hydroxyl group, a sulfonic acid group and a secondary amino group, or an aromatic group which comprises a secondary amino group and may comprise nitrogen; R4 in the general formula (III) represents an aromatic amino acid residue represented by the general formula (III-1) below; X represents -CHY-(CH3)2Z; and Y and Z are respectively -H or -OH or together form a single bond: (III-1) wherein R5 represents a hydroxyl group which may be present or absent; and n represents an integer of 0 or 1.

  本发明提供了由下式(II)和(III)表示的具有溶栓增强活性的三烯丙基酚化合物，以及生产该三烯丙基酚化合物的有效方法。在通式（II）和（III）中，R1 代表芳香基团，该芳香基团具有至少一个从羧基、羟基、磺酸基和仲氨基组成的组中选出的取代基或取代基的一部分，或代表包含仲氨基并可包含氮的芳香基团；通式(III)中的 R4 代表如下通式(III-1)所代表的芳香族氨基酸残基； X 代表-CHY-(CH3)2Z； Y 和 Z 分别为-H 或-OH 或共同形成单键：(III-1) 其中 R5 代表羟基，可有可无；n 代表 0 或 1 的整数。
• Triprenyl phenol compounds, process for their production and use as thrombolysis enhancer
  申请人：Tokyo University of Agriculture and Technology TLO

  公开号：EP2604697A1

  公开（公告）日：2013-06-19

  The present invention provides a triprenyl phenol compound represented by the following formula (II) and (III) and having a thrombolysis-enhancing activity, and an efficient method for producing the triprenyl phenol compound. In formula (II) and (III), R1 represents an aromatic group having as a substituent or as a part of a substituent at least one member selected from the group consisting of a carboxyl group, a hydroxyl group, a sulfonic acid group and a secondary amino group, or an aromatic group which comprises a secondary amino group and may comprise nitrogen; R4 in the general formula (III) represents an aromatic amino acid residue represented by the general formula (III-1) below; X represents -CHY-(CH3)2Z; and Y and Z are respectively -H or -OH or together form a single bond: (III-1) wherein R5 represents a hydroxyl group which may be present or absent; and n represents an integer of 0 or 1.

  本发明提供了由下式(II)和(III)表示的具有溶栓增强活性的三烯丙基酚化合物，以及生产该三烯丙基酚化合物的有效方法。在通式（II）和（III）中，R1 代表芳香基团，该芳香基团具有至少一个从羧基、羟基、磺酸基和仲氨基组成的组中选出的取代基或取代基的一部分，或代表包含仲氨基并可包含氮的芳香基团；通式(III)中的 R4 代表如下通式(III-1)所代表的芳香族氨基酸残基； X 代表-CHY-(CH3)2Z； Y 和 Z 分别为-H 或-OH 或共同形成单键：(III-1) 其中 R5 代表羟基，可有可无；n 代表 0 或 1 的整数。
• Bioretrosynthetic methods for preparing products and compositions related thereto
  申请人：Bachmann O. Brian

  公开号：US20060105375A1

  公开（公告）日：2006-05-18

  Disclosed herein are methods of producing molecules in a natural system and methods for identifying metabolic pathways. Also, disclosed herein are methods and compositions for constructing biosynthetic pathways in whole cells and cell-extracts to produce molecules of interest.

  本文公开了在自然系统中生产分子的方法和鉴定代谢途径的方法。 此外，本文还公开了在全细胞和细胞提取物中构建生物合成途径以生产相关分子的方法和组合物。