Glutaminylalanine

Base Information

• Chemical Name: Glutaminylalanine
• CAS No.: 16874-70-7
• Molecular Formula: C₈H₁₅N₃O₄
• Molecular Weight: 217.225
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID201314377
• Nikkaji Number: J488.861H
• Wikidata: Q76411576
• Metabolomics Workbench ID: 78756
• ChEMBL ID: CHEMBL1221528
• Mol file: 16874-70-7.mol

Synonyms:H-Gln-Ala-OH;glutaminylalanine;16874-70-7;Gln-Ala;L-GLUTAMINYL-L-ALANINE;Alanylglutamine;99%;(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoic acid;(S)-2-((S)-2,5-Diamino-5-oxopentanamido)Propanoic acid;QA dipeptide;glutaminyl-alanine;Q-A Dipeptide;L-Gln-L-Ala;L-Gln-L-Ala-OH;Glutamine Alanine dipeptide;Glutamine-Alanine dipeptide;SCHEMBL751144;CHEMBL1221528;CHEBI:157823;FAQVCWVVIYYWRR-WHFBIAKZSA-N;DTXSID201314377

Chemical Property of Glutaminylalanine

Chemical Property:

• Vapor Pressure: 1E-16mmHg at 25°C
• Melting Point: 174-177 °C
• Boiling Point: 615.4°C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 326°C
• PSA: 135.51000
• Density: 1.305g/cm³
• LogP: -0.04000
• XLogP3: -4.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 217.10625597
• Heavy Atom Count: 15
• Complexity: 267

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Glutaminylalanine

There total 9 articles about Glutaminylalanine 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:

N-(N2-benzyloxycarbonyl-L-glutaminyl)-L-alanine benzyl ester (49761-50-4) → L-Glutaminyl-L-alanin (16874-70-7)

Guidance literature:

With palladium on activated charcoal; ethanol; acetic acid; Hydrogenation;

DOI:10.1021/ja01639a063

Reference yield:

Boc-Gln(Dmb)-Ala-OH (31874-59-6) → L-Glutaminyl-L-alanin (16874-70-7)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1021/jo00824a025

Reference yield:

Boc-Glu-OBn (30924-93-7) → L-Glutaminyl-L-alanin (16874-70-7)

Guidance literature:

Multi-step reaction with 6 steps

1: (i) Na2(OCH₂CH₂OCH₃)2>, (ii) /BRN= 2482076/, DCC

2: H₂ / Pd-C

3: DCC

4: Et₃N

5: aq. NaOH

6: H₂ / Pd-C

With sodium hydroxide; hydrogen; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal;

DOI:10.1021/jo00824a025

upstream raw materials:

N-(N²-benzyloxycarbonyl-L-glutaminyl)-L-alanine benzyl ester

Boc-Gln(Dmb)-Ala-OH

Cbz-L-Gln

Boc-Glu-OBn

Refernces