Discovery of Potent and Selective Benzothiophene Difluoromethyl Phosphonate (DFMP) PTPN2/N

A dataset describing the discovery of benzothiophene difluoromethyl phosphonate (DFMP) inhibitors with potent dual PTPN1/PTPN2 activity. The data, authored by Xiao Mei Zheng and last updated on 2026-04-29, includes results from structure-based design, vector optimization, and mechanistic studies identifying SLC19A1 as a key transporter.

Use Cases

• Evaluating structure-activity relationships for C5/C7-disubstituted benzothiophene designs based on potency inflection data.
• Analyzing pharmacokinetic properties and selectivity profiles of optimized DFMP inhibitors.
• Studying the role of SLC19A1 transporter in cellular uptake of difluoromethyl phosphonate compounds.
• Assessing dose-dependent pSTAT1 induction in MC38 mouse models for lead compound 25.

Strengths

• Dataset includes specific lead compound (25) with reported potency, selectivity, and favorable PK.
• Mechanistic studies identified a specific cellular transporter (SLC19A1).

Limitations

• Dataset size is 3.0 KB, indicating a very limited scope of data.
• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.

Provenance

Source

figshare

Collection Method

Structure-based design and systematic vector optimization reported in the associated research.

Freshness

Last updated 2026-04-29 20:43:26; freshness should be verified.