MNI 137 - Moligand™, ≥98%(HPLC) , Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor, CAS No.946619-21-2, Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor

CAS: 946619-21-2 Cat. No.: M288647 Formula: C₁₅H₉BrN₄O Peso molecolare: 341.16

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

4-(8-Bromo-2,3-dihydro-2-oxo-1H-1,5-benzodiazepin-4-yl)-2-pyridinecarbonitrile | 4-(7-bromo-4-hydroxy-3H-benzo[b][1,4]diazepin-2-yl)picolinonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

4-(8-Bromo-2,3-dihydro-2-oxo-1H-1,5-benzodiazepin-4-yl)-2-pyridinecarbonitrile | 4-(7-bromo-4-hydroxy-3H-benzo[b][1,4]diazepin-2-yl)picolinonitrile

Specifiche e purezza

Moligand™, ≥98%(HPLC)

Meccanismi biochimici e fisiologici

Selective negative allosteric modulator of group II mGlu receptors (IC50values are 8.3 and 12.6 nM for human and rat mGlu2inhibition of glutamate-induced calcium mobilization). Displays no activity at mGlu1, mGlu4, mGlu5or mGlu8receptors in a calcium mobi

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ALLOSTERIC MODULATOR

Meccanismo d'azione

Allosteric modulator of mGlu 2 receptor;Allosteric modulator of mGlu 3 receptor

Purezza

≥98%(HPLC)

Nomi e identificatori

• Sorrisi canonici: C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC(=NC=C3)C#N
• IUPAC Name: 4-(8-bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile
• InChIKey: KMKZCMKOSAKVGY-UHFFFAOYSA-N
• INCHI: 1S/C15H9BrN4O/c16-10-1-2-12-14(6-10)20-15(21)7-13(19-12)9-3-4-18-11(5-9)8-17/h1-6H,7H2,(H,20,21)
• Isomeri SMILES: C1C(=NC2=C(C=C(C=C2)Br)NC1=O)C3=CC(=NC=C3)C#N
• Peso molecolare: 341.16
• Reaxy-Rn: 11087306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11087306&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodiazepines
• Alternative Parents: 1,4-diazepines Pyridines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodiazepine - Para-diazepine - Aryl bromide - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Ketimine - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Cyanide - Organic oxygen compound - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
• 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

Obiettivi associati (umani)

GRM2 Tchem Metabotropic glutamate receptor 2 (0 Activities)

Discover Target: GRM2

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

GRM3 Tchem Metabotropic glutamate receptor 3 (1 Activities)

Discover Target: GRM3

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 17.06, Max Conc. mM: 50
• Peso molecolare: 341.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 339.996 Da
• Monoisotopic Mass: 339.996 Da
• Topological Polar Surface Area: 78.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 497.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 946619-21-2, the molecular formula is C15H9BrN4O, and the molecular weight is 341.16 g/mol. InChIKey KMKZCMKOSAKVGY-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.