4-Amino-3-methoxyphenylboronic acid, pinacol ester

CAS: 461699-81-0

Ref. 3D-FA160570

Informação sobre produto

• Nome: 4-Amino-3-methoxyphenylboronic acid, pinacol ester

Descrição

4-Amino-3-methoxyphenylboronic acid, pinacol ester (4APB) is a potent antiviral agent that inhibits the virus by binding to the carboxamide residue in its active site. 4APB has been shown to inhibit the replication of HIV, HSV-1 and HSV-2, and influenza A and B viruses. This compound binds to residues that are not well conserved across different virus strains, highlighting its potential for designing novel antiviral agents with broad spectrum activity. 4APB also has a molecular weight of 576 g/mol and can be synthesized from commercially available compounds. The compound was designed using rational drug design, which takes into account both the chemical structure and biological activity of the molecule. Modelling studies show that 4APB forms hydrogen bonds with the protein's active site residues, which may contribute to its high affinity for this region.

• Marca: Biosynth

Propriedades químicas

• Peso molecular: 249.11 g/mol
• Fórmula: C₁₃H₂₀BNO₃
• Pureza: Min. 95%
• InChI: InChI=1S/C13H20BNO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8H,15H2,1-5H3
• Chave InChI: InChIKey=KEMUFKXFCINKAA-UHFFFAOYSA-N
• SMILES: COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1N