123850

AKR1C1 Inhibitor, 5-PBSA

The AKR1C1 Inhibitor, 5-PBSA, also referenced under CAS 4906-68-7, controls the biological activity of AKR1C1.

• Synonym(s): AKR1C1 Inhibitor, 5-PBSA, Aldo-Keto Reductase family 1 member C1 Inhibitor, 5-PBSA, 3-Bromo-5-phenylsalicylic acid, 20α-Hydroxysteroid Dehydrogenase Inhibitor, 5-PBSA
• Empirical Formula (Hill Notation): C₁₃H₉BrO₃
• CAS Number: 4906-68-7
• Molecular Weight: 293.11
• MDL number: MFCD16495825
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥94% (HPLC)
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: white
• solubility: DMSO: 50 mg/mL
• shipped in: wet ice
• storage temp.: 2-8°C
• SMILES string: OC1=C(C(O)=O)C=C(C2=CC=CC=C2)C=C1Br
• InChI: 1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)
• InChI key: XVZSXNULHSIRCQ-UHFFFAOYSA-N

Description

General description

A cell-permeable salicylic acid compound that acts as a highly potent, active-site directed and substrate competitive AKR1C1 inhibitor (K_i = 4 nM) with moderate to excellent selectivity over AKR1C2, AKR1C3 and AKR1C4 (K_i = 0.087, 4.2 and 18.2 µM, respectively). Shown to inhibit the metabolism of progesterone by AKR1C1 (IC₅₀ = 460 nM in AKR1C1 overexpressing BAECs).

Packaging

Packaged under inert gas

Warning

Toxicity: Standard Handling (A)

Reconstitution

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

El-Kabbani, O., et al. 2011. J. Steroid Biochem. Mol. Biol.125, 105.
El-Kabbani, O., et al. 2009. J. Med. Chem.52, 3259.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable