NH2-D-Leu-Gly-OEt | 79116-58-8

• 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: NH2-D-Leu-Gly-OEt
• 英文别名: ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]amino]acetate
• CAS: 79116-58-8
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: PMKXAKKWRBOEIC-MRVPVSSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  15
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  NH2-D-Leu-Gly-OEt 在 氯甲酸乙酯 、 sodium cyanoborohydride 、 sodium sulfate 、 三乙胺 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 25.67h， 生成 (3S)-4-{butyl-[(1R)-1-(ethoxycarbonylmethyl-carbamoyl)-3-methyl-butyl]carbamoyl}-3-phenyl-butyric acid ethyl ester
  参考文献：
  名称：

  Circular dichroism studies on absolute configuration assignment of peptidomimetics with a terminal chiral 3-arylpropionic acid unit

  摘要：

  The relationship between the molecular structure of peptidomimetics 1 and their chiroptical properties has been studied using circular dichroism spectroscopy. It was demonstrated that the sign of the Cotton effects occurring around 230 and 270 nm enables the direct assignment of stereochemistry at C-1 and C-3 carbon atoms. The TD-DFT calculations of the circular dichroisin (CD) spectrum of one of the model compounds confirm the absolute stereochemistry assignment made experimentally. Thus, CD spectroscopy proved to be a simple, reliable and general tool for the determination of the absolute configuration of the stereogenic centers of peptidomimetics with a terminal 3-arylpropionic group. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.08.024
• 作为产物：
  描述：

  D-亮氨酸 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 NH2-D-Leu-Gly-OEt
  参考文献：
  名称：

  Circular dichroism studies on absolute configuration assignment of peptidomimetics with a terminal chiral 3-arylpropionic acid unit

  摘要：

  The relationship between the molecular structure of peptidomimetics 1 and their chiroptical properties has been studied using circular dichroism spectroscopy. It was demonstrated that the sign of the Cotton effects occurring around 230 and 270 nm enables the direct assignment of stereochemistry at C-1 and C-3 carbon atoms. The TD-DFT calculations of the circular dichroisin (CD) spectrum of one of the model compounds confirm the absolute stereochemistry assignment made experimentally. Thus, CD spectroscopy proved to be a simple, reliable and general tool for the determination of the absolute configuration of the stereogenic centers of peptidomimetics with a terminal 3-arylpropionic group. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2006.08.024

文献信息

• [EN] NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM<br/>[FR] NOUVEAUX ESTERS D'(ACYLOXYMÉTHYL)ACRYLAMIDE, COMPOSITION PHARMACEUTIQUE LES CONTENANT, ET LEUR UTILISATION EN TANT QU'INHIBITEURS DU SYSTÈME DE THIORÉDOXINE/THIORÉDOXINE RÉDUCTASE
  申请人：INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK

  公开号：WO2012050465A1

  公开（公告）日：2012-04-19

  The subject of the present invention are novel esters of (acyloxymethyl)acrylamide, a pharmaceutical composition containing them and their use in the production of drugs for the prophylaxis or treatment of oncogenic diseases and diseases connected with increased cell proliferation.

  本发明的主题是新的（酰氧甲基）丙烯酰胺酯，其中包含它们的制药组合物以及它们在生产用于预防或治疗肿瘤性疾病和与细胞增殖增加有关的疾病的药物中的应用。
• Circular dichroism studies on absolute configuration assignment of peptidomimetics with a terminal chiral 3-arylpropionic acid unit
  作者：Jadwiga Frelek、Anna Fryszkowska、Marcin Kwit、Ryszard Ostaszewski

  DOI：10.1016/j.tetasy.2006.08.024

  日期：2006.10

  The relationship between the molecular structure of peptidomimetics 1 and their chiroptical properties has been studied using circular dichroism spectroscopy. It was demonstrated that the sign of the Cotton effects occurring around 230 and 270 nm enables the direct assignment of stereochemistry at C-1 and C-3 carbon atoms. The TD-DFT calculations of the circular dichroisin (CD) spectrum of one of the model compounds confirm the absolute stereochemistry assignment made experimentally. Thus, CD spectroscopy proved to be a simple, reliable and general tool for the determination of the absolute configuration of the stereogenic centers of peptidomimetics with a terminal 3-arylpropionic group. (c) 2006 Elsevier Ltd. All rights reserved.