Arginylalanine

Base Information

• Chemical Name: Arginylalanine
• CAS No.: 40968-45-4
• Molecular Formula: C₉H₁₉N₅O₃
• Molecular Weight: 245.282
• Hs Code.: 2925290090
• UNII: 6KRO2N7539
• DSSTox Substance ID: DTXSID60193967
• Nikkaji Number: J89.387K
• Wikidata: Q27144126
• Metabolomics Workbench ID: 78676
• ChEMBL ID: CHEMBL328471
• Mol file: 40968-45-4.mol

Synonyms:Arginylalanine;40968-45-4;Arg-Ala;L-arginyl-L-alanine;(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid;UNII-6KRO2N7539;CHEMBL328471;CHEBI:73810;6KRO2N7539;(S)-2-((S)-2-Amino-5-guanidinopentanamido)propanoic acid;Arginyl-Alanine;L-Alanine, L-arginyl-;Arginyl-alanin;RA dipeptide;R-A Dipeptide;L-Arg-L-Ala;DIPEPTIDE-3;N-L-Arginyl-L-alanine;Arginine Alanine dipeptide;Arginine-Alanine dipeptide;H-ARG-ALA-OH ACOH;DIPEPTIDE-3 [INCI];SCHEMBL321541;DTXSID60193967;L-ALANINE, N-L-ARGINYL-;BDBM50407418;Q27144126;(S)-2-((S)-2-Amino-5-guanidinopentanamido)propanoicacid;(2S)-2-[(2S)-2-AMINO-5-CARBAMIMIDAMIDOPENTANAMIDO]PROPANOIC ACID

Chemical Property of Arginylalanine

Chemical Property:

• PKA: 3.14±0.10(Predicted)
• PSA: 191.62000
• Density: 1.45±0.1 g/cm3(Predicted)
• LogP: 0.53930
• Storage Temp.: −20°C
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 245.14878949
• Heavy Atom Count: 17
• Complexity: 301

Purity/Quality:

98%Min ^*data from raw suppliers

H-Arg-Ala-OH acetate salt ^*data from reagent suppliers

Safty Information:

• Statements: 66-67

MSDS Files:

Useful:

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

Technology Process of Arginylalanine

There total 14 articles about Arginylalanine 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: 96.0%

Nα,NG,NG-tribenzyloxycarbonylarginylalanine p-nitrobenzyl ester (102249-12-7) → Arg-Ala (40968-45-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In ethanol; for 1h; Product distribution; H₂/Pd was tested as well;

Reference yield: 80.0%

Nα-benzyloxycarbonyl-NG-nitroarginylalanine p-nitrobenzyl ester (102249-03-6) → Arg-Ala (40968-45-4)

Guidance literature:

With ammonium formate; palladium on activated charcoal; In ethanol; for 2h; Product distribution; H₂/Pd was tested as well;

Reference yield: 49.4%

Fmoc-Arg-Ala-OH (1312365-82-4) → Arg-Ala (40968-45-4)

Guidance literature:

With morpholine; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 1h;

DOI:10.1002/cbic.201000759

upstream raw materials:

N-(N^α-benzyloxycarbonyl-N^ω-nitro-L-arginyl)-L-alanine benzyl ester

N^α-Benzyloxycarbonyl-N^ε-nitro-L-arginyl-L-alanin

N^α-benzyloxycarbonyl-N^G-nitroarginylalanine p-nitrobenzyl ester

N^α,N^G,N^G-tribenzyloxycarbonylarginylalanine p-nitrobenzyl ester

Downstream raw materials:

N^α-benzyloxycarbonyltryptophylarginylalanine