SMALL MOLECULES
Contributor Information
- Name Laurent Rigoreau
- Institute Cancer Research Technology
Tool Details
- Tool name: AKR1C3 inhibitor CRT0083914 Small Molecule (Tool Compound)
- Molecular formula: C16H22N2O3S
- Tool type: Small molecules
- Tool sub-type: Inhibitor
- Purpose: Inhibitor
- Molecular weight of the target: 322.43
- Description: CRT0083914 is a novel non-carboxylate inhibitors of the aldo-ketoreductase enzyme AKR1C3, which is a target of interest in breast and prostate cancer and also some leukaemias.
- Research area: Cell Signaling & Signal Transduction; Neurobiology
- Selectivity: Displays much weaker inhibitory activity against AKR1C1, AKR1C2 and AKR1C4 (IC50 >30 ÂľM).
- IUPAC: 1-[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
- IC50: IC50 = 94 nM
- Additional notes: CRT0083914: a series of (piperidinosulfonamidophenyl)pyrrolidin-2-ones as potent (<100 nM) and isoform-selective non-carboxylate inhibitors of AKR1C3. Structureâactivity relationships identified the sulfonamide was critical, and a crystal structure showed the 2-pyrrolidinone does not interact directly with residues in the oxyanion hole. Variations in the position, co-planarity or electronic nature of the pyrrolidinone ring severely diminished activity, as did altering the size or polarity of the piperidino ring. There was a broad correlation between the enzyme potencies of the compounds and their effectiveness at inhibiting AKR1C3 activity in cells.
- For Research Use Only
Target Details
- Target molecular weight: 322.43
- Primary target: AKR1C3
Application Details
Handling
- Purity: 322.43 g/mol
- Shipping conditions: Dry Ice
Documentation
Related Tools
References
- • CRT0083914- Heinrich et al. 2013. Eur J Med. Chem. PMID: 23454516
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