SIB 1757 - Moligand™, ≥98% , Allosteric modulator of mGlu 5 receptor, CAS No.31993-01-8, Allosteric modulator of mGlu 5 receptor

CAS: 31993-01-8 Cat. No.: S287942 Fórmula: C₁₂H₁₁N₃O Peso molecular: 213.24 Número EC: 636-525-2 PubChem CID: 5218788

GRADE & PURITY Moligand™, ≥98%

Synonyms

NCGC00185991-01 | CHEBI:93722 | SR-01000076142-1 | BCP33033 | BDBM50478347 | DTXSID00425754 | EU-0101161 | CCG-205235 | GTPL1431 | s2645 | MLS000860049 | L000560 | SIB1757 | SIB-1757 | SIB-1757; SIB1757 | AKOS024456470 | NCGC00025047-03 | SCHEMBL179770 |

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

SIB-1757 es un antagonista altamente selectivo y no competitivo del receptor mGlu5 con un IC50 de 0,4 μM。

Specifications

Sinónimos

NCGC00185991-01 | CHEBI:93722 | SR-01000076142-1 | BCP33033 | BDBM50478347 | DTXSID00425754 | EU-0101161 | CCG-205235 | GTPL1431 | s2645 | MLS000860049 | L000560 | SIB1757 | SIB-1757 | SIB-1757; SIB1757 | AKOS024456470 | NCGC00025047-03 | SCHEMBL179770 |

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Un antagonista altamente selectivo para el subtipo mGlu5metabotrópico del receptor de glutamato; muestra un valor IC50 de 0,4μM en hmGlu5comparado con > 30μM en hmGlu1b, hmGlu2, hmGlu4, hmGlu6, hmGlu7y hmGlu8.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of mGlu 5 receptor

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488195160

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195160

Sonrisas canónicas

CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2

IUPAC Name

6-methyl-2-phenyldiazenylpyridin-3-ol

InChIKey

LOCPVWIREQIGNQ-UHFFFAOYSA-N

INCHI

1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3

Isómeros SMILES

CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2

PubChem CID

5218788

Peso molecular

213.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Hydroxypyridines Benzene and substituted derivatives Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Hydroxypyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl 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

Objetivos asociados (humanos)

GRM5 Tchem Metabotropic glutamate receptor 5 (0 Activities)

Discover Target: GRM5

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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100
• Peso molecular: 213.230 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 213.09 Da
• Monoisotopic Mass: 213.09 Da
• Topological Polar Surface Area: 57.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 31993-01-8, the molecular formula is C??H??N?O, and the molecular weight is 213.24 g/mol. InChIKey LOCPVWIREQIGNQ-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.