SIB 1757 - Moligand™, 10mM in DMSO , Allosteric modulator of mGlu 5 receptor, CAS No.31993-01-8, Allosteric modulator of mGlu 5 receptor

CAS: 31993-01-8 Cat. No.: S423304 Fórmula: C₁₂H₁₁N₃O Peso molecular: 213.24 Número CE: 636-525-2 PubChem CID: 5218788

GRADE & PURITY Moligand™, 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

SIB-1757 is a highly selective and noncompetitive antagonist of mGlu5 receptor with an IC50 of 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 |

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

A highly selective antagonist for the mGlu5metabotropic glutamate receptor subtype; displays an IC50value of 0.4μM at hmGlu5compared with > 30μM at hmGlu1b, hmGlu2, hmGlu4, hmGlu6, hmGlu7and hmGlu8.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Grau

Moligand™

Tipo de ação

ALLOSTERIC MODULATOR

Mecanismo de ação

Allosteric modulator of mGlu 5 receptor

Nomes e identificadores

Pubchem Sid

528767098

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (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)

Propriedades químicas e físicas

• 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