Spiperone hydrochloride - ≥98% , CAS No.2022-29-9

CAS: 2022-29-9 Cat. No.: S275020 Formula: C₂₃H₂₆FN₃O₂.HCl Peso molecolare: 431.94 PubChem CID: 11957687

GRADE & PURITY ≥98%

Synonyms

Spiperone (hydrochloride) | SR-01000000261-3 | 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride | SR-01000000261 | C23H26FN3O2.HCl | SCHEMBL466892 | NCGC00261754-01 | AKOS024458725 | CCG-222373 | LP01069 | Spirope

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Sinonimi

Spiperone (hydrochloride) | SR-01000000261-3 | 8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one hydrochloride | SR-01000000261 | C23H26FN3O2.HCl | SCHEMBL466892 | NCGC00261754-01 | AKOS024458725 | CCG-222373 | LP01069 | Spirope

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

5-HT and D 2 -like receptor antagonist. (IC 50 values are 1.6 and 15 nM at 5-HT 2 and 5-HT 1C receptors, respectively. K i values are 0.06 ( D 2 ), 0.6 (D 3 ), 0.08 (D 4 ), ~ 350 (D 1 ) and ~ 3500 nM (D 5 )). Potently enhances intracellular Ca 2+ levels.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504766830
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766830
• Sorrisi canonici: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl
• IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
• InChIKey: QUIKMLCZZMOBLH-UHFFFAOYSA-N
• INCHI: 1S/C23H26FN3O2.ClH/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20;/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29);1H
• Isomeri SMILES: C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl
• PubChem CID: 11957687
• Peso molecolare: 431.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Phenylimidazolidines Phenylbutylamines Azaspirodecane derivatives Alpha amino acids and derivatives Benzoyl derivatives Dialkylarylamines Aryl alkyl ketones Aniline and substituted anilines Fluorobenzenes Aryl fluorides Gamma-amino ketones Imidazolidinones Piperidines Trialkylamines Lactams Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenylimidazolidine - Alpha-amino acid or derivatives - Azaspirodecane - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Dialkylarylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Gamma-aminoketone - Imidazolidinone - Piperidine - Imidazolidine - Tertiary amine - Lactam - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Hydrochloride - Amine - Organic oxide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y

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Obiettivi associati (non umani)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO to 100 mM
• Sensibilità: Moisture sensitive
• Peso molecolare: 431.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 431.178 Da
• Monoisotopic Mass: 431.178 Da
• Topological Polar Surface Area: 52.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 577.000
• 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

XLogP3