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3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzonitrile , CAS No.M608811, Allosteric modulator of mGlu 5 receptor

COA

Grade & Purity:

Moligand™

PubChem CID: 24180510

In stock

Item Number

M608811

Grouped product items
SKU	Size	Availability	Price	Qty
M608811-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90
M608811-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

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mGlu5 receptor Allosteric modulator (80)

Basic Description

Synonyms	compound 18
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	ALLOSTERIC MODULATOR
Mechanism of action	Allosteric modulator of mGlu 5 receptor

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridopyrimidines
    - Subclass Pyrido[2,3-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridopyrimidines
Subclass	Pyrido[2,3-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrido[2,3-d]pyrimidines
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Methylpyridines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrido[2,3-d]pyrimidine - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Ether - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.
External Descriptors	Not available
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 (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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3-methoxy-5-(7-methylpyrido[2,3-d]pyrimidin-2-yl)benzonitrile
INCHI	InChI=1S/C16H12N4O/c1-10-3-4-12-9-18-15(20-16(12)19-10)13-5-11(8-17)6-14(7-13)21-2/h3-7,9H,1-2H3
InChIKey	NGRPBCOEAPBKCI-UHFFFAOYSA-N
Smiles	COc1cc(C#N)cc(c1)c1ncc2c(n1)nc(cc2)C
Isomeric SMILES	CC1=NC2=NC(=NC=C2C=C1)C3=CC(=CC(=C3)C#N)OC
PubChem CID	24180510

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