Cyclo(deltaAla-L-Val)

Base Information

• Chemical Name: Cyclo(deltaAla-L-Val)
• CAS No.: 25516-00-1
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.19300
• DSSTox Substance ID: DTXSID50332085
• Nikkaji Number: J1.213.649H
• Wikidata: Q27110146
• Mol file: 25516-00-1.mol

Synonyms:Cyclo(deltaAla-L-Val);cyclo(delta-Ala-L-Val);25516-00-1;(6S)-3-methylidene-6-propan-2-ylpiperazine-2,5-dione;3-Methylene-6S-(1-methylethyl)-2,5-piperazinedione;(6S)-3-methylidene-6-(propan-2-yl)piperazine-2,5-dione;Cyclo(?-Ala-L-Val);SCHEMBL18196051;CHEBI:29563;DTXSID50332085;Q27110146

Chemical Property of Cyclo(deltaAla-L-Val)

Chemical Property:

• Boiling Point: 469.8±45.0 °C(Predicted)
• PKA: 12.04±0.40(Predicted)
• PSA: 65.18000
• Density: 1.13±0.1 g/cm3(Predicted)
• LogP: 0.32250
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 245

Purity/Quality:

98% ^*data from raw suppliers

Cyclo(Δ-Ala-L-Val) ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)NC(=C)C(=O)N1
• Isomeric SMILES: CC(C)[C@H]1C(=O)NC(=C)C(=O)N1
• Uses: Cyclo(Δ-Ala-L-Val) is a diketopiperazine formed by the fusion of Δ-alanine and valine, reported as a secondary metabolite of fungi and bacteria. In Pseudomonas aeruginosa, cyclo(Δ-Ala-L-Val) is capable of activating N-acylhomoserine lactones (AHLs). Cyclo(Δ-Ala-L-Val) is also capable of activating or antagonizing other LuxR-based quorum-sensing systems. While the mode of action of cyclo(Δ-Ala-L-Val) is not known, its activity suggests the existence of cross talk among bacterial signalling systems.