Eplivanserin (mixture) - ≥99% , Serotonin 2a (5-HT2a) receptor antagonist, CAS No.130581-13-4, Serotonin 2a (5-HT2a) receptor antagonist

CAS: 130581-13-4 Cat. No.: E650786 Fórmula: C₁₉H₂₁FN₂O₂ Peso molecular: 328.38 Número CE: 663-560-0 PubChem CID: 135456190

GRADE & PURITY ≥99%

Synonyms

SR-01000944919 | SR-01000944919-1 | DB12177 | OXAZEPAM [JAN] | SR46349 | SR-46349 | Eplivanserin [INN] | Eplivanserin [USAN:INN:BAN] | L001389 | PDSP2_001557 | BDBM81780 | Eplivanserin (USAN/INN) | 4-[(1E,3Z)-3-{[2-(Dimethylamino)ethoxy]imino}-3-(2-fluoro

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Eplivanserin mixture (SR-46349 mixture) is a selective serotonin reuptake inhibitor and a 5-HT 2A receptor antagonist, extracted from patent WO 2005/002578 A1

Form:Solid

IC50& Target:5-HT 2A Receptor

Specifications

Sinónimos

SR-01000944919 | SR-01000944919-1 | DB12177 | OXAZEPAM [JAN] | SR46349 | SR-46349 | Eplivanserin [INN] | Eplivanserin [USAN:INN:BAN] | L001389 | PDSP2_001557 | BDBM81780 | Eplivanserin (USAN/INN) | 4-[(1E,3Z)-3-{[2-(Dimethylamino)ethoxy]imino}-3-(2-fluoro

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Eplivanserin mixture (SR-46349 mixture) is a selective serotonin reuptake inhibitor and a 5-HT 2A receptor antagonist, extracted from patent WO 2005/002578 A1.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Mecanismo de ação

Serotonin 2a (5-HT2a) receptor antagonist

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F
• IUPAC Name: 4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol
• InChIKey: VAIOZOCLKVMIMN-PRJWTAEASA-N
• INCHI: 1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-
• SMILES isoméricas: CN(C)CCO/N=C(/C=C/C1=CC=C(C=C1)O)\C2=CC=CC=C2F
• CAS alternativo: 130579-75-8
• PubChem CID: 135456190
• Termos de entrada MeSH: 4-((3Z)-3-(2-dimethylaminoethyl)oxyimino-3-(2-fluorophenyl)propen-1-yl)phenol hemifumarate;SR 46349;SR 46349B;SR-46349;SR-46349B
• Peso molecular: 328.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Linear 1,3-diarylpropanoids
      • Subclass Cinnamylphenols

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Cinnamylphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamylphenols
• Alternative Parents: Styrenes Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Trialkylamines Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamylphenol - Styrene - Fluorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups.
• 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

Alvos associados (humanos)

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

HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 Activities)

Discover Target: HTR2C

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

HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 Activities)

Discover Target: HTR2B

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Htr2b Serotonin 2 (5-HT2) receptor (2078 Activities)

Discover Target: Htr2b

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 125 mg/mL (380.66 mM; Need ultrasonic)
• Peso molecular: 328.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 328.159 Da
• Monoisotopic Mass: 328.159 Da
• Topological Polar Surface Area: 45.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 418.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1