Alanine glutamate

Base Information

• Chemical Name: Alanine glutamate
• CAS No.: 13187-90-1
• Molecular Formula: C8H14 N2 O5
• Molecular Weight: 218.21
• Hs Code.: 2924199090
• UNII: 8D40GXI4MA
• DSSTox Substance ID: DTXSID70927376
• Nikkaji Number: J81.565I
• Wikidata: Q27131168
• Metabolomics Workbench ID: 78662
• ChEMBL ID: CHEMBL2074938
• Mol file: 13187-90-1.mol

Synonyms:Ala-Glu;alanylglutamate;alanylglutamic acid

Chemical Property of Alanine glutamate

Chemical Property:

• Vapor Pressure: 3.12E-12mmHg at 25°C
• Boiling Point: 520.5 °C at 760 mmHg
• PKA: 3.03±0.10(Predicted)
• Flash Point: 268.6 °C
• PSA: 129.72000
• Density: 1.362 g/cm³
• LogP: -0.14100
• Storage Temp.: -15°C
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 218.09027155
• Heavy Atom Count: 15
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Ala-Glu-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NC(CCC(=O)O)C(=O)O)N
• Isomeric SMILES: C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
• Uses: Ala-Glu-OH is used in the enzymic production of oligopeptides and in the enzymic production of human growth hormones.

Technology Process of Alanine glutamate

There total 5 articles about Alanine glutamate 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:

Boc-Ala-Glu-OH (123228-28-4) → H-Ala-Glu-OH (13187-90-1)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 1h;

DOI:10.1007/s00726-021-02958-0

Reference yield:

N-(N-benzyloxycarbonyl-L-alanyl)-L-glutamic acid dibenzyl ester (5276-60-8) → H-Ala-Glu-OH (13187-90-1)

Guidance literature:

With palladium; acetic acid; Hydrogenation;

DOI:10.1021/ja01114a528

Reference yield:

(S)-2-((S)-2-Amino-propionylamino)-pentanedioic acid 5-(4-nitro-benzyl) ester → H-Ala-Glu-OH (13187-90-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In water;

DOI:10.1248/cpb.25.2613

upstream raw materials:

N-(N-benzyloxycarbonyl-L-alanyl)-L-glutamic acid dibenzyl ester

dibenzyl L-glutamate

Boc-Ala-Glu(OMe)-OMe

Boc-Ala-Glu-OH

Downstream raw materials:

L-alanin

L-glutamic acid

Refernces

• 1、 Musiyak, Vera V.,Nizova, Irina A.,Chulakov, Evgeny N.,Sadretdinova, Liliya Sh.,Tumashov, Andrey A.,Levit, Galina L.,Krasnov, Victor P.. "Stereochemical aspects in the synthesis of novel N-(purin-6-yl)dipeptides as potential antimycobacterial agents". . p. 407 - 415. Retrieved 2021/02/26.