676491-46-6

Basic information

• Product Name: 1H-Pyrrolo[2,3-c]pyridine, 4-Methoxy-7-(3-Methyl-1H-1,2,4-triazol-1-yl)-
• Synonyms: 1H-Pyrrolo[2,3-c]pyridine, 4-Methoxy-7-(3-Methyl-1H-1,2,4-triazol-1-yl)-;4-Methoxy-7-(3-Methyl-1,2,4-triazol-1-yl)-6-azaindole;1H-Pyrrolo[2,3-c]pyridine, 4-Methoxy-7-(3-Methyl-1H-1,2,4-triazol-1-yl)-10;1-{4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-3-methyl-1H-1,2,4-triazole;4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridine
• CAS NO: 676491-46-6
• Molecular Formula: C₁₁H₁₁N₅O
• Molecular Weight: 229.23794
• Mol File: 676491-46-6.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 525.2±60.0 °C(Predicted)
• Appearance: /
• Density: 1.44±0.1 g/cm3(Predicted)
• PKA: 13.04±0.40(Predicted)
• CAS DataBase Reference: 1H-Pyrrolo[2,3-c]pyridine, 4-Methoxy-7-(3-Methyl-1H-1,2,4-triazol-1-yl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrrolo[2,3-c]pyridine, 4-Methoxy-7-(3-Methyl-1H-1,2,4-triazol-1-yl)-(676491-46-6)
• EPA Substance Registry System: 1H-Pyrrolo[2,3-c]pyridine, 4-Methoxy-7-(3-Methyl-1H-1,2,4-triazol-1-yl)-(676491-46-6)

Safety Data

• Hazardous Substances Data: 676491-46-6(Hazardous Substances Data)

Usage

General Description

1H-Pyrrolo[2,3-c]pyridine, 4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)- is a chemical compound with the molecular formula C12H12N5O. It is a heterocyclic compound that consists of a pyrrolopyridine ring system with a 4-methoxy group and a 3-methyl-1H-1,2,4-triazol-1-yl side chain. 1H-Pyrrolo[2,3-c]pyridine, 4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)- has potential pharmaceutical applications due to its ability to modulate biological pathways, and as a result, it is of interest in drug discovery and development. The specific biological activities and potential therapeutic uses of this compound are areas of ongoing research and investigation.

Upstream product

• 98198-48-2 2-amino-5-bromo-4-methylpyridine 
• 67443-38-3 5-bromo-2-chloro-3-nitropyridine 

Downstream Products

• 1392514-36-1 C₂₁H₁₈ClN₅O₄S 
• 701213-36-7 1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)-ethane-1,2-dione 
• 1426310-90-8 1-(5-benzoylhexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione 
• 1392514-37-2 C₃₁H₂₈ClN₇O₄S 
• 1392514-39-4 C₂₅H₂₄ClN₇O₄ 

Relevant articles and documents

Kinetic characterization of novel HIV-1 entry inhibitors: Discovery of a relationship between off-rate and potency

The entry of HIV-1 into permissible cells remains an extremely attractive and underexploited therapeutic intervention point. We have previously demonstrated the ability to extend the chemotypes available for optimization in the entry inhibitor class using computational means. Here, we continue this effort, designing and testing three novel compounds with the ability to inhibit HIV-1 entry. We demonstrate that alteration of the core moiety of these entry inhibitors directly influences the potency of the compounds, despite common proximal and distal groups. Moreover, by establishing for the first time a surface plasmon resonance (SPR)-based interaction assay with soluble recombinant SOSIP Env trimers, we demonstrate that the off-rate (kd) parameter shows the strongest correlation with potency in an antiviral assay. Finally, we establish an underappreciated relationship between the potency of a ligand and its degree of electrostatic complementarity (EC) with its target, the Env complex. These findings not only broaden the chemical space in this inhibitor class, but also establish a rapid and simple assay to evaluate future HIV-1 entry inhibitors.

Core chemotype diversification in the HIV-1 entry inhibitor class using field-based bioisosteric replacement

Demand remains for new inhibitors of HIV-1 replication and the inhibition of HIV-1 entry is an extremely attractive therapeutic approach. Using field-based bioisosteric replacements, we have further extended the chemotypes available for development in the HIV-1 entry inhibitor class. Moreover, using field-based disparity analysis of the compounds, 3D structure-activity relationships were derived that will be useful in the further development of these inhibitors towards clinical utility.