N-chloroacetyl-D-tyrosine | 742100-87-4

• 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: N-chloroacetyl-D-tyrosine
• 英文别名: N-Chloracetyl-D-tyrosin；N-(2-chloroacetyl)-d-tyrosine；(2R)-2-[(2-chloroacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
• CAS: 742100-87-4
• 化学式: C₁₁H₁₂ClNO₄
• 分子量: 257.674
• InChiKey: GDOGSOZOUAVIFX-SECBINFHSA-N

物化性质

• 熔点：
  144-148 °C
• 沸点：
  556.6±50.0 °C(Predicted)
• 密度：
  1.411±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-chloroacetyl-D-tyrosine 在 ammonium hydroxide 作用下， 生成 Gly-(D-Tyr)
  参考文献：
  名称：

  Abderhalden; Schmitz, Fermentforschung, 1929, vol. 10, p. 428,433

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 carboxypeptidase-substance from bovine pancreas 作用下， 生成 N-chloroacetyl-D-tyrosine
  参考文献：
  名称：

  Gilbert et al., Journal of Biological Chemistry, 1949, vol. 180, p. 473,475

  摘要：

  DOI：

文献信息

• Macrocyclic Peptide, Method for Producing Same, and Screening Method Using Macrocyclic Peptide Library
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160209421A1

  公开（公告）日：2016-07-21

  An object of the present invention is to provide a peptide excellent in resistance against metabolism, having a stable structure in vivo, and capable of penetrating a cell membrane and reaching in cells. The present invention provides a macrocyclic peptide having a macrocyclic structure comprised of four or more amino acids. At least two amino acids not adjacent to each other have a hydrophobic side chain and the hydrophobic side chains interact with each other inside the ring of the macrocyclic peptide in a hydrophilic environment.

  本发明的目的是提供一种具有抗代谢能力、在体内具有稳定结构、能够穿透细胞膜并进入细胞的肽。本发明提供一种具有四个或更多氨基酸构成的大环肽，其具有大环结构。至少有两个不相邻的氨基酸具有疏水侧链，并且这些疏水侧链在大环肽的环内在亲水环境中相互作用。
• PEPTIDE FOR INHIBITING VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR
  申请人：The University of Tokyo

  公开号：EP2894161A1

  公开（公告）日：2015-07-15

  An object of the present invention is to provide a VEGFR2 inhibitor peptide having high specificity and available at a low cost. The present invention provides a peptide having the following amino acid sequence: [wherein, Xaa2 represents Val or derivative thereof, Xaa6 represents Asp or derivative thereof, Xaa7 represents Pro or derivative thereof, Xaa8 represents Trp or derivative thereof, Xaa10 represents Asn or derivative thereof, Xaa11 represents Gly or derivative thereof, Xaa12 represents Leu or derivative thereof, Xaa1, Xaa3 to Xaa5, Xaa9, and Xaa13 to Xaa15 each independently represent an arbitrary amino acid or derivative thereof]; or [wherein, Xaa24 represents His or derivative thereof, Xaa25 represents Pro or derivative thereof, and Xaa16 to Xaa23 and Xaa26 to Xaa30 each represent an arbitrary amino acid].

  本发明的目的是提供一种具有高特异性且成本低廉的 VEGFR2 抑制剂多肽。本发明提供了一种具有以下氨基酸序列的多肽： [其中，Xaa2代表Val或其衍生物，Xaa6代表Asp或其衍生物，Xaa7代表Pro或其衍生物，Xaa8代表Trp或其衍生物，Xaa10代表Asn或其衍生物，Xaa11代表Gly或其衍生物，Xaa12代表Leu或其衍生物，Xaa1、Xaa3至Xaa5、Xaa9和Xaa13至Xaa15各自独立地代表任意氨基酸或其衍生物]；或 [其中，Xaa24 代表 His 或其衍生物，Xaa25 代表 Pro 或其衍生物，以及 Xaa16 至 Xaa23 和 Xaa26 至 Xaa30 各自代表任意氨基酸]。
• MACROCYCLIC PEPTIDE, METHOD FOR PRODUCING SAME, AND SCREENING METHOD USING MACROCYCLIC PEPTIDE LIBRARY
  申请人：The University of Tokyo

  公开号：EP3040417A1

  公开（公告）日：2016-07-06

  An object of the present invention is to provide a peptide excellent in resistance against metabolism, having a stable structure in vivo, and capable of penetrating a cell membrane and reaching in cells. The present invention provides a macrocyclic peptide having a macrocyclic structure comprised of four or more amino acids. At least two amino acids not adjacent to each other have a hydrophobic side chain and the hydrophobic side chains interact with each other inside the ring of the macrocyclic peptide in a hydrophilic environment.

  本发明的目的是提供一种抗代谢能力极强、在体内结构稳定、能够穿透细胞膜并到达细胞内的多肽。 本发明提供了一种大环肽，它具有由四个或四个以上氨基酸组成的大环结构。至少两个互不相邻的氨基酸具有疏水侧链，疏水侧链在大环肽的环内亲水环境中相互作用。
• METHOD FOR PRODUCING PEPTIDES HAVING AZOLE-DERIVED SKELETON
  申请人：The University of Tokyo

  公开号：EP3103881A1

  公开（公告）日：2016-12-14

  Object of the present invention is to develop an artificial synthesis system of various peptides having an azole derivative structure and develop a library of such peptides. The present invention provides a method of producing a peptide having, in the backbone thereof, an azole derivative structure comprising the step of: synthesizing a substrate peptide of an azoline structure introducing enzyme having, in the modified region thereof, at least any one of the following amino acids, [in any of the compounds, X1 represents a group selected from the group consisting of SH, OH, NH2, SR1, OR1, NHR1, and N3 (R1 represents a protecting group), X2 represents an easily eliminable group; and X3 represents hydrogen or a substituted or unsubstituted alkyl or aryl group having from 1 to 10 carbon atoms]; reacting the substrate peptide with an azoline structure introducing enzyme to obtain a peptide having an azoline derivative structure; and converting the azoline derivative structure of the resulting peptide into an azole derivative structure by inducing an HX2 elimination reaction of X2 group.

  本发明的目的是开发具有唑衍生物结构的各种多肽的人工合成系统，并开发此类多肽库。本发明提供了一种生产多肽的方法，该多肽的骨架具有唑衍生物结构，包括以下步骤： 合成唑啉结构的底物肽，引入酶，在其修饰区域中至少具有以下任一氨基酸、 [在任何化合物中、 X1 代表选自 SH、OH、NH2、SR1、OR1、NHR1 和 N3（R1 代表保护基）的基团、 X2 代表易消除基团；以及 X3 代表氢或具有 1 至 10 个碳原子的取代或未取代的烷基或芳基]； 将底物肽与偶氮啉结构导入酶反应，以获得具有偶氮啉衍生物结构的肽；以及 通过诱导 X2 基团的 HX2 消去反应，将所得多肽的唑啉衍生物结构转化为唑衍生物结构。
• SUPER VERSATILE METHOD FOR PRESENTING CYCLIC PEPTIDE ON PROTEIN STRUCTURE
  申请人：The University Of Tokyo

  公开号：EP3666897A1

  公开（公告）日：2020-06-17

  The present invention provides a method of presenting a cyclic peptide on a protein having a loop structure. The cyclic peptide has a chemically crosslinked structure for forming an intramolecular cyclic structure. The method includes replacing the chemically crosslinked structure of the cyclic peptide with two amino acid residues constituting the loop structure, thereby fusing the cyclic peptide with the protein having a loop structure.

  本发明提供了一种在具有环状结构的蛋白质上呈现环肽的方法。环肽具有化学交联结构，可形成分子内环结构。该方法包括用构成环状结构的两个氨基酸残基取代环肽的化学交联结构，从而将环肽与具有环状结构的蛋白质融合在一起。

表征谱图