L-aspartic acid-4-isobutyl ester | 48063-66-7

• 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: L-aspartic acid-4-isobutyl ester
• 英文别名: L-Asparaginsaeure-4-isobutylester；(2S)-2-amino-4-(2-methylpropoxy)-4-oxobutanoic acid
• CAS: 48063-66-7
• 化学式: C₈H₁₅NO₄
• 分子量: 189.211
• InChiKey: BMTCGMHECKAHDO-LURJTMIESA-N

物化性质

• 沸点：
  326.2±37.0 °C(Predicted)
• 密度：
  1.159±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  L-天门冬氨酸 、 异丁醇 在 四氟硼酸-二乙醚络合物 、 sodium sulfate 作用下， 反应 15.0h， 以53%的产率得到L-aspartic acid-4-isobutyl ester
  参考文献：
  名称：

  A Simple and Convenient Synthesis of β-Aspartates and γ-Glutamates

  摘要：

  以四氟硼酸为催化剂，开发了一种简单方便、高产率的天冬氨酸和谷氨酸Ï酯合成方法。文中给出了产品的 13C-NMR 数据。

  DOI：

  10.1055/s-1987-28030

文献信息

• [EN] NOVEL MURAMYL PEPTIDE DERIVATIVE COMPOUND, SYNTHESIS AND USES THEREOF<br/>[FR] NOUVEAU COMPOSÉ DÉRIVÉ DE MURAMYLE, SYNTHÈSE ET UTILISATIONS ASSOCIÉES
  申请人：BHARAT BIOTECH INT LTD

  公开号：WO2017098529A1

  公开（公告）日：2017-06-15

  The invention relates to novel Muramyl Dipeptide (MDP) derivative compound of structural Formula-VIII, a process for synthesis, intermediates used in the synthesis and use thereof. R = alkyl (both linear and branched), aryl, substituted aryl, alkoxy alkyl Wherein, R can be both linear and branched alkyl, aryl, substituted aryl and alkoxy alkyl. These compounds possess excellent pharmacological properties, in particular immunomodulating properties for use as adjuvant in vaccine formulations. These compounds are, particularly useful as adjuvants in vaccines.

  这项发明涉及结构式-VIII的新型Muramyl Dipeptide（MDP）衍生物化合物，以及用于合成的过程、合成中使用的中间体和其用途。其中，R = 烷基（线性和支链）、芳基、取代芳基、烷氧基烷基。其中，R可以是线性和支链烷基、芳基、取代芳基和烷氧基烷基。这些化合物具有出色的药理特性，特别是作为疫苗配方中的辅助免疫调节特性。这些化合物在疫苗中特别有用作为辅助剂。
• Piutti; Magli, Gazzetta Chimica Italiana, 1906, vol. 36 II, p. 740
  作者：Piutti、Magli

  DOI：——

  日期：——
• NOVEL MURAMYL PEPTIDE DERIVATIVE COMPOUND, SYNTHESIS AND USES THEREOF
  申请人：Bharat Biotech International Limited

  公开号：EP3387005A1

  公开（公告）日：2018-10-17
• COMPOUND HAVING AFFINITY SUBSTANCE TO SOLUBLE PROTEIN, CLEAVABLE PORTION AND REACTIVE GROUP, OR SALT THEREOF
  申请人：Ajinomoto Co., Inc.

  公开号：US20200190165A1

  公开（公告）日：2020-06-18

  The present invention provides a technique enabling modification of a soluble protein and in particular regioselective modification of a soluble protein. More specifically, the present invention provides a compound having an affinity substance to a soluble protein, a cleavable portion, and a reactive group represented by the following Formula (I): A-L-B-R  (I) wherein A is an affinity substance to a soluble protein; L is a cleavable linker which is a divalent group comprising a cleavable portion; B is (a) a divalent group comprising a bioorthogonal functional group or (b) a divalent group comprising no bioorthogonal functional group; and R is a reactive group to the soluble protein; or a salt thereof.
• [EN] NOVEL MURAMYL PEPTIDE DERIVATIVE COMPOUND, SYNTHESIS AND USES THEREOF<br/>[FR] NOUVEAU COMPOSÉ DÉRIVÉ DES PEPTIDES DE MURAMYLE, SA SYNTHÈSE ET SES UTILISATIONS
  申请人：BHARAT BIOTECH INT LTD

  公开号：WO2017103944A1

  公开（公告）日：2017-06-22

  The invention relates to novel Muramyl Dipeptide (MDP) derivative compound of structural Formula-VIII, a process for synthesis, intermediates used in the synthesis and use thereof; (Formula VIII) wherein R1 and R2 both are hydrogen; or R1 is hydrogen and R2 is alkyl or aryl; or R1 is alkyl or aryl and R2 is hydrogen; or R1 and R2 both are alkyl or aryl (same or different groups); wherein alkyl group constitute C1-C6 alkyl or higher (both linear and branched) with or without heteroatoms; and aryl group constitute phenyl, substituted phenyl, heteraryl, arylalkyl and polynuclear aromatics. These compounds possess excellent pharmacological properties, in particular immunomodulating properties for use as adjuvant in vaccine formulations. These compounds are, particularly useful as adjuvants in vaccines.