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
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About This Item
Empirical Formula (Hill Notation):
C13H9BrO3
CAS Number:
Molecular Weight:
293.11
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
Assay:
≥94% (HPLC)
Form:
solid
Quality level:
Storage condition:
OK to freeze, protect from light
Quality Level
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
General description
A cell-permeable salicylic acid compound that acts as a highly potent, active-site directed and substrate competitive AKR1C1 inhibitor (Ki = 4 nM) with moderate to excellent selectivity over AKR1C2, AKR1C3 and AKR1C4 (Ki = 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
Preparation Note
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.
El-Kabbani, O., et al. 2009. J. Med. Chem.52, 3259.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Standard Handling (A)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Certificates of Analysis (COA)
Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.
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