Dacinostat

Base Information

• Chemical Name: Dacinostat
• CAS No.: 404951-53-7
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.4522
• UNII: V10P524501
• DSSTox Substance ID: DTXSID50870351
• Nikkaji Number: J2.213.340C
• Wikidata: Q27076972
• NCI Thesaurus Code: C81158
• Pharos Ligand ID: GZXXK1J5JL5B
• ChEMBL ID: CHEMBL356066
• Mol file: 404951-53-7.mol

Synonyms:LAQ824;NVP-LAQ824

Chemical Property of Dacinostat

Chemical Property:

• Refractive Index: 1.692
• PKA: 8.81±0.23(Predicted)
• PSA: 88.59000
• Density: 1.29 g/cm³
• LogP: 3.11440
• Solubility.: insoluble in H2O; insoluble in EtOH; ≥17.45 mg/mL in DMSO
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 379.18959167
• Heavy Atom Count: 28
• Complexity: 505

Purity/Quality:

98% min ^*data from raw suppliers

Dacinostat ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO
• Isomeric SMILES: C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)/C=C/C(=O)NO
• Uses: Dacinostat is an inhibitors of aberrant chromatin accessibility. It is also used in the synthesis of triazole-linked indole and oxindole glycoconjugates as potential anticancer agents that inhibits the proliferation of the growth of cancer cell lines.