Blonanserin

Base Information

• Chemical Name: Blonanserin
• CAS No.: 132810-10-7
• Molecular Formula: C23H30FN3
• Molecular Weight: 367.5028032
• Hs Code.: 29339900
• European Community (EC) Number: 685-975-6
• UNII: AQ316B4F8C
• DSSTox Substance ID: DTXSID7048790
• Nikkaji Number: J387.544J
• Wikipedia: Blonanserin
• Wikidata: Q4927426
• NCI Thesaurus Code: C95920
• Pharos Ligand ID: QA8U4CFA1Z13
• Metabolomics Workbench ID: 144381
• ChEMBL ID: CHEMBL178803
• Mol file: 132810-10-7.mol

Synonyms:2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta(b)pyridine;AD 5423;AD-5423;AD5423;blonanserin;cycloocta(b)pyridine, 2-(4-ethyl-1-piperazinyl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydro-;lonasen

Chemical Property of Blonanserin

Chemical Property:

• Vapor Pressure: 9.21E-12mmHg at 25°C
• Melting Point: 117-119°C
• Refractive Index: 1.557
• Boiling Point: 540.8 °C at 760 mmHg
• PKA: 7.66±0.10(Predicted)
• Flash Point: 280.9 °C
• PSA: 19.37000
• Density: 1.095 g/cm³
• LogP: 4.69150
• Storage Temp.: Refrigerator
• Solubility.: DMSO: ≥10mg/mL
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 367.24237613
• Heavy Atom Count: 27
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Blonanserin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1CCN(CC1)C2=NC3=C(CCCCCC3)C(=C2)C4=CC=C(C=C4)F
• Recent ClinicalTrials: Effects on Social and Cognition Functions of Blonanserin in First Episode Schizophrenia Patients
• Recent NIPH Clinical Trials: Comparison of atypical antipsychotics for recovery in schizophrenia
• Uses: Mental Blonanserin is a novel atypical antipsychotic agent with potent dopamine D2 (Ki, 14.8 nM) and serotonin 5-HT2(Ki, 3.98 nM) receptors antagonist properties. A 5-HT2 Serotonin receptor and D2 Dopamine receptor antagonist, used as an antipsychotic.
• Description: Blonanserin, a dual antagonist of dopamine D2 and serotonin 5-HT2 receptors, was launched past year in Japan for the oral treatment of psychosis and schizophrenia. It is the latest entry in the class of atypical antipsychotic agents to reach the market. Blonanserin exhibits high affinity for D2 and 5-HT2 receptors (IC50 23.6 and 9.85 nM, respectively). Its affinity for D2 receptors is very close to that of haloperidol and risperidone, whereas the affinity for 5-HT2 receptors is about 7 times higher than that of haloperidol and 10 times lower than that of risperidone.Blonanserin is chemically derived in three steps starting with a polyphosphoric acid mediated condensation reaction of cyclooctanone with 4-fluorobenzoylacetonitrile. The resultant 4-fluorophenylcycloocta[b]pyridin-2-one intermediate is converted to the corresponding 2-chloro derivative by treatment with phosphoryl chloride and subsequently condensed with 1-ethylpiperazine to afford blonanserin.
• Therapeutic Function: Antipsychotic