Fluphenazine decanoate - Moligand™, ≥98% , Dopamine D2 receptor antagonist, CAS No.5002-47-1, Dopamine D2 receptor antagonist

CAS: 5002-47-1 Cat. No.: F353360 Peso molecular: 591.78 Número EC: 225-672-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

FLUPHENAZINE DECANOATE [WHO-DD] | QD-10733 | Prolixin decanoate (TN) | FLUPHENAZINE DECANOATE (USP IMPURITY) | BCP18078 | DTXSID7023069 | Fluphenazine O-decanoate | NCGC00386699-01 | Fluphenazine decanoate (JAN/USP) | 2-(4-{3-[2-(trifluoromethyl)-10H-phen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Fluphenazine decanoate is dopamine D2 receptor blocke,and is a long-acting phenothiazine neuroleptic that used to treat schizophrenia.

Specifications

Sinónimos

FLUPHENAZINE DECANOATE [WHO-DD] | QD-10733 | Prolixin decanoate (TN) | FLUPHENAZINE DECANOATE (USP IMPURITY) | BCP18078 | DTXSID7023069 | Fluphenazine O-decanoate | NCGC00386699-01 | Fluphenazine decanoate (JAN/USP) | 2-(4-{3-[2-(trifluoromethyl)-10H-phen

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Dopamine D2 receptor antagonist

Pureza

≥98%

Propiedades del producto

• ALogP: 9

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
• IUPAC Name: 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl decanoate
• InChIKey: VIQCGTZFEYDQMR-UHFFFAOYSA-N
• INCHI: 1S/C32H44F3N3O2S/c1-2-3-4-5-6-7-8-14-31(39)40-24-23-37-21-19-36(20-22-37)17-11-18-38-27-12-9-10-13-29(27)41-30-16-15-26(25-28(30)38)32(33,34)35/h9-10,12-13,15-16,25H,2-8,11,14,17-24H2,1H3
• Isómeros SMILES: CCCCCCCCCC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
• Número ONU: 2811
• Grupo de embalaje: II
• Peso molecular: 591.78
• Reaxy-Rn: 599852
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=599852&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzothiazines
      • Subclass Phenothiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzothiazines
• Subclass: Phenothiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenothiazines
• Alternative Parents: Alkyldiarylamines Diarylthioethers Fatty acid esters N-alkylpiperazines 1,4-thiazines Benzenoids Carboxylic acid esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Alkyl fluorides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenothiazine - Alkyldiarylamine - Diarylthioether - Aryl thioether - Tertiary aliphatic/aromatic amine - Fatty acid ester - N-alkylpiperazine - Para-thiazine - 1,4-diazinane - Piperazine - Benzenoid - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organopnictogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Amine - Hydrocarbon derivative - Alkyl halide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
• 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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Rattus norvegicus (775804 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 591.800 g/mol
• XLogP3: 9.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 591.311 Da
• Monoisotopic Mass: 591.311 Da
• Topological Polar Surface Area: 61.300 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 765.000
• 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