(S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid

Base Information

• Chemical Name: (S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid
• CAS No.: 60079-22-3
• Molecular Formula: C8H12N2O7
• Molecular Weight: 248.1901
• Metabolomics Workbench ID: 78647
• Mol file: 60079-22-3.mol

Synonyms:Asp-Asp;aspartyl-aspartic acid;beta-L-aspartyl-L-aspartic acid

Chemical Property of (S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid

Chemical Property:

• Vapor Pressure: 1.19E-15mmHg at 25°C
• Melting Point: 152-153 °C
• Boiling Point: 594.1°Cat760mmHg
• PKA: 2.39±0.10(Predicted)
• Flash Point: 313.1°C
• PSA: 167.02000
• Density: 1.602g/cm³
• LogP: -1.07630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 248.06445073
• Heavy Atom Count: 17
• Complexity: 341

Purity/Quality:

99%+, ^*data from raw suppliers

(S)-2-((S)-3-Amino-3-carboxypropanamido)succinicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)N)C(=O)NC(CC(=O)O)C(=O)O
• Isomeric SMILES: C([C@@H](C(=O)O)N)C(=O)N[C@@H](CC(=O)O)C(=O)O
• 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.

Technology Process of (S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid

There total 9 articles about (S)-2-((S)-3-Amino-3-carboxypropanamido)succinic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

C22H30N2O9 → 2-[(3-amino-3-carboxypropane)amide]butanedioic acid (60079-22-3)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 20 ℃; for 0.666667h;

Reference yield:

ASPARAGINE (3130-87-8,28088-48-4,7006-34-0) → N-β-aspartyl-aspartic acid (60079-22-3)

Guidance literature:

With glycerol; at 160 - 170 ℃;

Reference yield:

ASPARAGINE (3130-87-8,28088-48-4,7006-34-0) → N-β-aspartyl-aspartic acid (60079-22-3)

Guidance literature:

With water;

upstream raw materials:

ASPARAGINE

L-asparagine

glycerol

water

Refernces

• 1、 Tanaka,Nakajima. "Isolation and identification of urinary β-aspartyl dipeptides and their concentrations in human urine". . p. 617 - 625. Retrieved 2007/10/05.