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Vilazodone HCl - 10mM in DMSO, high purity , CAS No.163521-08-2(DMSO), Serotonin 1a (5-HT1a) receptor partial agonist
Potent 5-HT1Apartial agonist and SSRI; antidepressant
Basic Description
Synonyms
5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxamide hydrochloride | Vilazodone (Hydrochloride) | SB659746-A | U8HTX2GK8J | EMD-68843 | Vilazodone hydrochloride | EMD 68 843 | 163521-08-2 (HCl) | Vilazodone HCl | Viibryd | UNII-U8H
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Potent 5-HT1Apartial agonist and serotonin-selective reuptake inhibitor (SSRI) (IC50values are 0.2 and 0.5 nM respectively). Antidepressant.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Serotonin 1a (5-HT1a) receptor partial agonist
Product Description
Vilazodone Hydrochloride (EMD 68843 Hydrochloride) is a serotonin transporter (SER) inhibitor and 5-HT1A receptor partial agonist.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
N-arylpiperazines
Alternative Parents
3-alkylindoles Benzofurans 2-heteroaryl carboxamides Furoic acid and derivatives Dialkylarylamines N-alkylpiperazines Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Trialkylamines Primary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-arylpiperazine - 3-alkylindole - Benzofuran - Indole - Indole or derivatives - 2-heteroaryl carboxamide - Furoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - Substituted pyrrole - Benzenoid - Furan - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Primary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors
hydrochloride
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
INCHI
InChI=1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32);1H
InChIKey
RPZBRGFNBNQSOP-UHFFFAOYSA-N
Smiles
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl
Isomeric SMILES
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl
WGK Germany
3
PubChem CID
6918313
Molecular Weight
477.99
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 9.56, Max Conc. mM: 20
Sensitivity
Moisture & heat sensitive
Molecular Weight
478.000 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
7
Exact Mass
477.193 Da
Monoisotopic Mass
477.193 Da
Topological Polar Surface Area
102.000 Ų
Heavy Atom Count
34
Formal Charge
0
Complexity
729.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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