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 Formula: C₁₂H₁₁N₃O Molecular Weight: 213.24 EC Number: 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

Overview

SIB-1757 is a highly selective and noncompetitive antagonist of mGlu5 receptor with an IC50 of 0.4 μM。

Specifications

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 |

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

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.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of mGlu 5 receptor

Names and Identifiers

Pubchem Sid

528767098

Canonical Smiles

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

Isomeric SMILES

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

PubChem CID

5218788

Molecular Weight

213.24

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Molecular Weight: 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