Mocetinostat DihydrobromideProduct ingredient for Mocetinostat
- Name
- Mocetinostat Dihydrobromide
- Drug Entry
- Mocetinostat
Mocetinostat has been used in trials studying the treatment of Lymphoma, Urothelial Carcinoma, Relapsed and Refractory, Myelodysplastic Syndrome, and Metastatic Leiomyosarcoma, among others.
- Accession Number
- DBSALT003299
- Structure
Structure for Mocetinostat Dihydrobromide (DBSALT003299)
- Synonyms
- Mocetinostat 2HBr / Mocetinostat dihydrobromide
- UNII
- 4V9P667Y2G
- CAS Number
- 944537-89-7
- Weight
- Average: 558.278
Monoisotopic: 556.022185 - Chemical Formula
- C23H22Br2N6O
- InChI Key
- ACPWZKZFDFBALX-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H20N6O.2BrH/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18;;/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29);2*1H
- IUPAC Name
- N-(2-aminophenyl)-4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzamide dihydrobromide
- SMILES
- Br.Br.NC1=CC=CC=C1NC(=O)C1=CC=C(CNC2=NC=CC(=N2)C2=CC=CN=C2)C=C1
- External Links
- ChemSpider
- 23341786
- ChEMBL
- CHEMBL481122
- Predicted Properties
Property Value Source logP 3 Chemaxon pKa (Strongest Acidic) 14.53 Chemaxon pKa (Strongest Basic) 4.37 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 105.82 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 120.32 m3·mol-1 Chemaxon Polarizability 42.56 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon