CAS 1253291-12-1

[4-(Difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methanone

Description:

The chemical substance with the name "[4-(Difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methanone" and CAS number "1253291-12-1" is a complex organic compound characterized by its multi-functional structure. It features a phenyl ring substituted with a difluoromethoxy group and an ethynyl group linked to a pyridine moiety, indicating potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. The presence of a pyrrolo[3,4-b]pyridine core suggests that it may exhibit interesting biological activities, possibly acting as a kinase inhibitor or having other therapeutic effects. The difluoromethoxy group can enhance lipophilicity and metabolic stability, while the ethynyl group may contribute to its reactivity and interaction with biological targets. Overall, this compound's unique structural features may lead to significant pharmacological properties, making it a candidate for further research in drug development. However, specific properties such as solubility, melting point, and biological activity would require empirical investigation.

Formula: C₂₂H₁₅F₂N₃O₂

InChI: InChI=1S/C22H15F2N3O2/c23-22(24)29-20-9-7-16(12-15(20)6-8-18-5-1-2-10-25-18)21(28)27-13-17-4-3-11-26-19(17)14-27/h1-5,7,9-12,22H,13-14H2

InChI key: InChIKey=JITMSIRHBAVREW-UHFFFAOYSA-N

SMILES: C(=O)(N1CC=2C(C1)=NC=CC2)C3=CC(C#CC4=CC=CC=N4)=C(OC(F)F)C=C3

Synonyms:

• [4-(Difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methanone
• GRN 529
• Methanone, [4-(difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-
• GRN-529 >=97% (HPLC)
• (4-difluoromethoxy-3-pyridin-2-ylethynyl-phenyl)-(5,7-dihydro-pyrrolo[3,4-b]pyridin-6-yl)-methanone

2-{2-[2-(Difluoromethoxy)-5-{5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carbonyl}phenyl]ethynyl}pyridine

CAS: 1253291-12-1

2-{2-[2-(Difluoromethoxy)-5-{5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carbonyl}phenyl]ethynyl}pyridine is a research tool that can be used in the study of ion channels and ligands. 2-{2-[2-(Difluoromethoxy)-5-{5H,6H,7H-pyrrolo[3,4-b]pyridine-6-carbonyl}phenyl]ethynyl}pyridine has been shown to have an inhibitory effect on Ligand binding to Receptor. This compound is also being studied as a potential therapeutic for Alzheimer's disease and other neurological disorders.

Formula: C₂₂H₁₅F₂N₃O₂

Purity: Min. 95%

Molecular weight: 391.4 g/mol

Ref: 3D-DAC29112

GRN-529

CAS: 1253291-12-1

GRN-529 is a selective negative allosteric modulator of the mGluR5 receptor.

Formula: C₂₂H₁₅F₂N₃O₂

Purity: 98%

Color and Shape: Solid

Molecular weight: 391.37

Ref: TM-T27434