aminopurvalanol A

Base Information

• Chemical Name: aminopurvalanol A
• CAS No.: 220792-57-4
• Molecular Formula: C19H26 Cl N7 O
• Molecular Weight: 403.91
• DSSTox Substance ID: DTXSID70944705
• Nikkaji Number: J1.150.641K
• Wikidata: Q27074450
• Pharos Ligand ID: AHFD5SF5T28F
• Metabolomics Workbench ID: 56079
• ChEMBL ID: CHEMBL286721
• Mol file: 220792-57-4.mol

Synonyms:aminopurvalanol A

Chemical Property of aminopurvalanol A

Chemical Property:

• Vapor Pressure: 3.34E-17mmHg at 25°C
• Refractive Index: 1.678
• Boiling Point: 639°Cat760mmHg
• PKA: 14.51±0.10(Predicted)
• Flash Point: 340.2°C
• PSA: 113.91000
• Density: 1.4g/cm³
• LogP: 4.54240
• Storage Temp.: Store at +4°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 403.1887362
• Heavy Atom Count: 28
• Complexity: 497

Purity/Quality:

98%Min ^*data from raw suppliers

Aminopurvalanol A ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC(=C3)N)Cl
• Isomeric SMILES: CC(C)[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC(=C3)N)Cl
• Uses: Aminopurvalanol A is a reversible and ATP-competitive inhibitor of Cdks.