[³H]N-methylspiperone - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of D 2 receptor;Antagonist of D 4 receptor, CAS No.H614137, Antagonist of 5-HT 2A receptor;Antagonist of D 2 receptor;Antagonist of D 4 receptor

CAS: H614137 Cat. No.: H614137 PubChem CID: 119146

GRADE & PURITY Moligand™

Synonyms

Mespiperone | [3H]methylspiperone | PDSP2_000043 | 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (N-methylspiperone,NMSP) | 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Storage

Room temperature

Specifications

Sinonimi

Mespiperone | [3H]methylspiperone | PDSP2_000043 | 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one (N-methylspiperone,NMSP) | 8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-3-methyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of 5-HT 2A receptor;Antagonist of D 2 receptor;Antagonist of D 4 receptor

Nomi e identificatori

Sorrisi canonici

Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1

IUPAC Name

8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

InChIKey

QHJLPOSPWKZACG-UHFFFAOYSA-N

INCHI

1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3

Isomeri SMILES

CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4

PubChem CID

119146

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 Imidazolidinones Aryl fluorides Gamma-amino ketones Piperidines Tertiary carboxylic acid amides Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Phenylimidazolidine - Alpha-amino acid or derivatives - Azaspirodecane - Benzoyl - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Gamma-aminoketone - Imidazolidinone - Piperidine - Tertiary carboxylic acid amide - Imidazolidine - Lactam - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - 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

Obiettivi associati (umani)

DRD2 Tclin D(2) dopamine receptor (3 Activities)

Discover Target: DRD2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD4 Tchem D(4) dopamine receptor (1 Activities)

Discover Target: DRD4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD3 Tclin D(3) dopamine receptor (1 Activities)

Discover Target: DRD3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HTR2A Tclin 5-hydroxytryptamine receptor 2A (1 Activities)

Discover Target: HTR2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

DRD2 Tclin Dopamine D2 receptor (23596 Activities)

Discover Target: DRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)

Discover Target: HTR2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ADRA1A Tclin Alpha-1a adrenergic receptor (8359 Activities)

Discover Target: ADRA1A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DRD3 Tclin Dopamine D3 receptor (14368 Activities)

Discover Target: DRD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 409.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 409.217 Da
• Monoisotopic Mass: 409.217 Da
• Topological Polar Surface Area: 43.900 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 606.000
• 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: 1

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is H614137. InChIKey QHJLPOSPWKZACG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.