VU 0357121 - Moligand™, ≥98% , Allosteric modulator of mGlu 5 receptor, CAS No.433967-28-3, Allosteric modulator of mGlu 5 receptor

CAS: 433967-28-3 Cat. No.: V129515 Peso molecular: 305.32 Número EC: 695-612-3 PubChem CID: 2296132

GRADE & PURITY Moligand™, ≥98%

Synonyms

STK141753 | AC-32758 | VU0357121, >=98% (HPLC) | SMR004703483 | VU0357121 | VU-0357121 | EX-A195 | VU-0357121(VU0357121) | NCGC00346706-07 | s2795 | GTPL6399 | MLS006011793 | A872704 | Benzamide, 4-butoxy-N-(2,4-difluorophenyl)- | CCG-267522 | DTXSID10367

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

VU0357121 is a novel positive allosteric modulator (PAM) of mGlu5 with EC50 of 33 nM, is inactive or very weakly antagonizing at other mGlu receptor subtypes.
A novel allosteric modulator of mGluR-5 receptors

Specifications

Sinónimos

STK141753 | AC-32758 | VU0357121, >=98% (HPLC) | SMR004703483 | VU0357121 | VU-0357121 | EX-A195 | VU-0357121(VU0357121) | NCGC00346706-07 | s2795 | GTPL6399 | MLS006011793 | A872704 | Benzamide, 4-butoxy-N-(2, 4-difluorophenyl)- | CCG-267522 | DTXSID10367

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Positive allosteric modulator of mGlu5receptors (EC50= 33 nM). Binds to a site distinct from that bound byMPEP.

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

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 5 receptor

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
• IUPAC Name: 4-butoxy-N-(2,4-difluorophenyl)benzamide
• InChIKey: AHCYOTLTLQTPSU-UHFFFAOYSA-N
• INCHI: 1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
• Isómeros SMILES: CCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F
• WGK Alemania: 3
• PubChem CID: 2296132
• Peso molecular: 305.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzamides Phenoxy compounds Phenol ethers Benzoyl derivatives Fluorobenzenes Alkyl aryl ethers Aryl fluorides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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 (humanos)

GRM5 Tchem Metabotropic glutamate receptor 5 (1 Activities)

Discover Target: GRM5

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

GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)

Discover Target: GRM5

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

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

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

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 30.53, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.53, Max Conc. mM: 100
• Peso molecular: 305.320 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 305.123 Da
• Monoisotopic Mass: 305.123 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• 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