2-Acetylamino-pentanedioic acid 5-methyl ester | 34972-69-5

• 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: 2-Acetylamino-pentanedioic acid 5-methyl ester
• 英文别名: 2-Acetamido-5-methoxy-5-oxopentanoic acid
• CAS: 34972-69-5
• 化学式: C₈H₁₃NO₅
• 分子量: 203.195
• InChiKey: FSQOOXOROIZXEU-UHFFFAOYSA-N

物化性质

• 沸点：
  466.9±40.0 °C(Predicted)
• 密度：
  1.231±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.5
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Acetylamino-pentanedioic acid 5-methyl ester 在 氨 、 1-羟基苯并三唑 、 2-乙氧基-1-乙氧碳酰基-1,2-二氢喹啉 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and Activity of Dipeptides, Linked to Targeting Ligands, as Specific NK Cell Enhancers

  摘要：

  Water soluble analogues of the lipophilic immunostimulant, octadecyl D-alanyl-L-glutamine, BCH-527, were synthesized and evaluated for the ability to stimulate natural killer (NK) cells. One of these compounds in which the octadecyl chain of BCH-527 was replaced with a shorter chain alcohol, 6-(D-alanyl-L-glutaminylamino)hexan-1-ol, 9, displayed an in vitro stimulation of NK cells comparable to that of interleukin 2 (IL 2). However, when the hydroxyl of 9 was linked to L-fucose to yield 1-beta-[6-(D-alanyl-L-glutaminylamino)hex-1-yl]-L-fucopyranose (BCH-2537 1), the observed stimulation of NK cells was greater than that observed with IL 2. Further evaluation of these compounds revealed that the improved in vitro activity of BCH-2537 was more pronounced in vivo. That is, while both compounds significantly increased splenic NK cells, only BCH-2537 significantly increased the activity of these cells in vivo. In terms of a structure-activity relationship, NK cell activity was sensitive to minor structural modifications. It was influenced by conservative substitutions within the dipeptide, the length of the hydrocarbon chain, and the functionality at the end of the chain. No other compound enhanced NK cell activity to the extent exhibited by BCH-2537, although a few were equipotent to 9.

  DOI：

  10.1021/jm970734v
• 作为产物：
  描述：

  2-氨基-5-氧代-5-甲氧基-戊酸 、 乙酸酐 在 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 2-Acetylamino-pentanedioic acid 5-methyl ester
  参考文献：
  名称：

  常规和准确的nmr测定α-氨基酸和α-氨基酸衍生物的对映体纯度

  摘要：

  作为N-乙酰基衍生物的α-氨基酸，α-氨基酯和α-氨基内酯的衍生化可以对对映体纯度进行准确的NMR测定。在这些条件下，具有手性移位试剂的主要配位点将对应于NMR观察位点。确定导致最高ΔΔδ值的实验因素。无法建立与绝对配置的直接关联。

  DOI：

  10.1016/s0040-4020(01)86812-5

文献信息

• Preparation method for pyrrolidine-2-carboxylic acid derivatives
  申请人：ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD.

  公开号：US20160145208A1

  公开（公告）日：2016-05-26

  The present invention relates to the field of medical synthesis, in particular to a preparation method for pyrrolidine-2-carboxylic acid derivatives. The present invention adopts the following technical solution: providing a compound having a structure of formula (E), wherein R is R 1 or R 2 , R 1 is C 1 -C 6 an alkyl, benzyl, p-methoxybenzyl, or p-nitrobenzyl group, and R 2 is hydrogen; R 3 is a protecting group of the carboxyl group; and P 1 is a protecting group on nitrogen.

  本发明涉及医药合成领域，特别是一种吡咯烷-2-羧酸衍生物的制备方法。本发明采用以下技术方案：提供具有结构式（E）的化合物，其中R为R1或R2，R1为C1-C6烷基、苄基、对甲氧基苄基或对硝基苄基，R2为氢；R3为羧基的保护基；P1为氮上的保护基。
• CONJUGATED PROTEINS AND USES THEREOF
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20200278355A1

  公开（公告）日：2020-09-03

  Disclosed herein, in certain embodiments, are protein-probe adducts and synthetic ligands that inhibit protein-probe adduct formation, in which the proteins are regulated by NRF2. In some instances, also described herein are protein-binding domains that interact with a probe and/or a ligand described herein, in which the proteins are regulated by NRF2.

  在某些实施例中，本文披露了蛋白质探针加合物和合成配体，可以抑制蛋白质探针加合物的形成，其中这些蛋白质受NRF2调控。在某些情况下，本文还描述了与本文描述的探针和/或配体相互作用的蛋白结合结构域，其中这些蛋白质受NRF2调控。
• Synthesis of N-acyl amino-acids by a carbonylation reaction
  作者：H. Wakamatsu、J. Uda、N. Yamakami

  DOI：10.1039/c29710001540

  日期：——

  A novel cobalt carbonyl-catalysed reaction gives an N-acyl amino-acid from an aldehyde, an amide, and carbon monoxide.

  一种新颖的羰基钴催化反应可从醛，酰胺和一氧化碳得到N-酰基氨基酸。
• PREPARATION METHOD FOR PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES
  申请人：Zhejiang Jiuzhou Pharmaceutical Co., Ltd.

  公开号：EP3015456A1

  公开（公告）日：2016-05-04

  The present invention relates to the field of medical synthesis, in particular to a preparation method for pyrrolidine-2-carboxylic acid derivatives. The present invention adopts the following technical solution: providing a compound having a structure of formula (E), wherein R is R1 or R2, R1 is C1-C6 an alkyl, benzyl, p-methoxybenzyl, or p-nitrobenzyl group, and R2 is hydrogen; R3 is a protecting group of the carboxyl group; and P1 is a protecting group on nitrogen.

  本发明涉及医药合成领域，尤其涉及一种吡咯烷-2-羧酸衍生物的制备方法。本发明采用如下技术方案：提供一种具有式（E）结构的化合物，其中R为R1或R2，R1为C1-C6的烷基、苄基、对甲氧基苄基或对硝基苄基，R2为氢；R3为羧基的保护基；P1为氮上的保护基。
• LIN, JIANG-JEN
  作者：LIN, JIANG-JEN

  DOI：——

  日期：——