Library of 1275 Triazine Macrocycles for Drug Discovery

Liam E. Claton synthesized and characterized a 1275-member library of 24-atom triazine macrocycles for drug discovery research in 2026. The library was created from 50 monomers using a quantitative dimerization process with >99.9% fidelity, validated by liquid chromatography–mass spectrometry. Reactions produced macrocycles, with some monomers exhibiting partial hydrolysis or deprotection.

Use Cases

• Analyze dimerization fidelity and reaction outcomes across the 1275-member library to validate chemical robustness.
• Identify structural patterns or anomalies related to partial hydrolysis observed in three ester-containing monomers.
• Compare macrocycle formation rates and byproduct profiles between homodimer and heterodimer mixtures.
• Evaluate functional group tolerance by correlating monomer properties with successful macrocycle yield.

Strengths

• Library contains 1275 distinct macrocycle compounds derived from 50 monomers.
• Dimerization process is described as quantitative with >99.9% fidelity.
• Data includes LCMS validation confirming library integrity.

Limitations

• Partial hydrolysis was observed for three specific ester-containing monomers, indicating a chemical limitation.
• Cleavage of a naphthylethyl group occurred for another monomer, showing functional group instability.
• Dataset is small in file size (942.1 KB), suggesting limited scope or summary-level data.

Provenance

Source

Liam E. Claton via figshare.

Collection Method

Synthetic chemistry: monomers with hydrazine and acetal groups dimerized to form macrocycles, with LCMS characterization.

Time Range

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Freshness

Last updated in March 2026.

Geography

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