60079-22-3

Basic information

• Product Name: 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane
• Synonyms: 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane;Aspartic acid condensate;Beta-Aspartyl-Aspartic Acid;(S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid;Nmda,ornithine Impurity;((R)-3-amino-3-carboxypropanoyl)-L-aspartic acid;Beta-Asp-Asp;2-[(3-Amino-3-Carboxypropanoylamino]Butanedioic Acid
• CAS NO: 60079-22-3
• Molecular Formula: C8H16N2O3
• Molecular Weight: 188.22424
• EINECS: -0
• Mol File: 60079-22-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 152-153 °C
• Boiling Point: 594.1°Cat760mmHg
• Flash Point: 313.1°C
• Appearance: /
• Density: 1.602g/cm³
• Vapor Pressure: 1.19E-15mmHg at 25°C
• Refractive Index: 1.571
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 2.39±0.10(Predicted)
• CAS DataBase Reference: 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane(60079-22-3)
• EPA Substance Registry System: 2-[(3-aMino-3-carboxy-propanoyl)aMino]butane(60079-22-3)

Safety Data

• Hazardous Substances Data: 60079-22-3(Hazardous Substances Data)

Usage

Uses

β-Aspartyl aspartic acid is used as a ligand in targeting SDF-1/CXCL12 with ligands that prevents activation of CXCR4 through structure-based drug design.

InChI:InChI=1/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)

Upstream product

• 3130-87-8 ASPARAGINE 
• 70-47-3 L-asparagine 
• 56-81-5 glycerol 
• 7732-18-5 water 
• 104870-26-0 N-(O-benzyl-N-benzyloxycarbonyl-L-β-aspartyl)-L-aspartic acid dibenzyl ester 

Relevant articles and documents

Aspartic acid condensate and a method for the preparation of (by machine translation)

The present invention relates to the field of organic synthesis technology, in particular to a kind of aspartic acid condensate preparation method, the preparation method comprises the following steps : (1) aspartic acid with alcohol to undergo esterification reaction, asparagic acid diester is obtained ; (2) Boc-L-aspartic acid-1-benzyl ester with aspartic acid diester reaction, the condensation product obtained ; (3) hydrolysis of the condensation product, the condensation states the asparagus acid is obtained. The invention uses of aspartic acid and Boc-L-aspartic acid-1-benzyl ester as the raw material, by esterification, condensation, hydrolysis, separation and purification to obtain high-purity aspartic acid condensate. The preparation method is suitable for laboratory in the preparation of large quantities, the impurity removal effect is good in the purification process. (by machine translation)