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AKR1C3 inhibitor CRT0083914 Small Molecule (Tool Compound)

Invented by Dr Laurent Rigoreau from Cancer Research Technology
Invented at Cancer Research Technology

Info

Catalogue Number 151879
Antigen/Gene or Protein Targets AKR1C3
Type Inhibitor
Relevance 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.
On Target IC50 IC50 = 94 nM
Selectivity Displays much weaker inhibitory activity against AKR1C1, AKR1C2 and AKR1C4 (IC50 >30 µM).
Molecular Formula C16H22N2O3S
lUPAC 1-[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
Molecular Weight (g/mol) 322.43
Research Area Cell Signaling & Signal Transduction, Metabolism, Neurobiology
Notes CRT0083914: a series of (piperidinosulfonamidophenyl)pyrrolidin-2-ones as potent (<100 nM) and isoform-selective non-carboxylate inhibitors of AKR1C3. Structure–activity 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.

References

There are 2 reference entries for this reagent.

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References: 2 entries

Heinrich et al. 2013. Eur J Med Chem. 62:738-44. PMID: 23454516.

Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.

Europe PMC ID: 23454516


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References: 2 entries

Heinrich et al. 2013. Eur J Med Chem. 62:738-44. PMID: 23454516.

Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.


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