Ro 67-4853 - Moligand™,≥98% , Allosteric modulator of mGlu 1 receptor, CAS No.302841-89-0, Allosteric modulator of mGlu 1 receptor

CAS: 302841-89-0 Cat. No.: R276214 Peso molecular: 325.36 Número EC: 109-903-5 PubChem CID: 9949202

GRADE & PURITY Moligand™, ≥98%

Synonyms

Carbamic acid, (9H-xanthen-9-ylcarbonyl)-, butyl ester | RQBUXEUMZZQUFY-UHFFFAOYSA-N | butyl 9H-xanthene-9-carbonylcarbamate | NCGC00370922-01 | QM27L9Q3RZ | SCHEMBL3727778 | AKOS024458108 | Butyl N-(9H-xanthen-9-ylcarbonyl)carbamate | FT-0674449 | (9H-xa

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Carbamic acid, (9H-xanthen-9-ylcarbonyl)-, butyl ester | RQBUXEUMZZQUFY-UHFFFAOYSA-N | butyl 9H-xanthene-9-carbonylcarbamate | NCGC00370922-01 | QM27L9Q3RZ | SCHEMBL3727778 | AKOS024458108 | Butyl N-(9H-xanthen-9-ylcarbonyl)carbamate | FT-0674449 | (9H-xa

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Ro 67-4853 is a positive allosteric modulator (PAM) of mGluR1 (pEC50=7.16 for rmGlu1a receptor). Ro67-4853 exhibits activity at all group I mGlu receptors including hmGlu1, rmGlu1, and rmGlu5. Ro 67-4853 enhances the potency of L-Glu by interacting with t

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged, Desiccated

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 1 receptor

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.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
• IUPAC Name: butyl N-(9H-xanthene-9-carbonyl)carbamate
• InChIKey: RQBUXEUMZZQUFY-UHFFFAOYSA-N
• INCHI: 1S/C19H19NO4/c1-2-3-12-23-19(22)20-18(21)17-13-8-4-6-10-15(13)24-16-11-7-5-9-14(16)17/h4-11,17H,2-3,12H2,1H3,(H,20,21,22)
• Isómeros SMILES: CCCCOC(=O)NC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13
• CAS alternativo: 302841-89-0
• PubChem CID: 9949202
• Términos de entrada MeSH: (9H-xanthene-9-carbonyl)carbamic acid butyl ester;Ro 67-4853;Ro67-4853
• Peso molecular: 325.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans
• Direct Parent: Xanthenes
• Alternative Parents: Diarylethers Benzenoids Dicarboximides Carbamate esters Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Xanthene - Diaryl ether - Benzenoid - Dicarboximide - Carbamic acid ester - Ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran 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 (humanos)

GRM1 Tchem Metabotropic glutamate receptor 1 (1 Activities)

Discover Target: GRM1

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 100 mM
• Sensibilidad: Moisture sensitive；Light sensitive
• Peso molecular: 325.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 325.131 Da
• Monoisotopic Mass: 325.131 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 431.000
• 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