Aspartyl-alanyl-diketopiperazine

Base Information

• Chemical Name: Aspartyl-alanyl-diketopiperazine
• CAS No.: 110954-19-3
• Molecular Formula: C7H10 N2 O4
• Molecular Weight: 186.17
• UNII: R9CHM391D5
• Wikidata: Q27288007
• Metabolomics Workbench ID: 155188
• ChEMBL ID: CHEMBL4297349
• Mol file: 110954-19-3.mol

Synonyms:(2S,5S)-5-methyl-3,6-dioxo-2-piperazineacetic acid;Ampion;AP-013;AP013;aspartyl-alanyl-diketopiperazine;DA-DKP

Chemical Property of Aspartyl-alanyl-diketopiperazine

Chemical Property:

• Boiling Point: 648.0±40.0 °C(Predicted)
• PKA: 4.02±0.10(Predicted)
• PSA: 95.50000
• Density: 1.295±0.06 g/cm3(Predicted)
• LogP: -0.87820
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 186.06405680
• Heavy Atom Count: 13
• Complexity: 263

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(=O)NC(C(=O)N1)CC(=O)O
• Isomeric SMILES: C[C@H]1C(=O)N[C@H](C(=O)N1)CC(=O)O
• Recent ClinicalTrials: A Study of Inhaled Ampion in Adults With Respiratory Distress Due to COVID-19
• Uses: 2-((2S,5S)-5-methyl-3,6-dioxopiperazin-2-yl)acetic acid (cas# 110954-19-3) or DA-?DKP is generated by cleavage and cyclization from the N-?terminus of human albumin during the preparation of commercial serum albumin product and modulates T-?lymphocyte cytokine production.