Description
3-bromo-5-phenyl Salicylic Acid is 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).
Product information
CAS Number: 4906-68-7
Molecular Weight: 293.11
Formula: C13H9BrO3
Chemical Name: 3-Bromo-5-phenylsalicylic acid
Smiles: OC1C(=CC(=CC=1Br)C1=CC=CC=C1)C(O)=O
InChiKey: XVZSXNULHSIRCQ-UHFFFAOYSA-N
InChi: 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)
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Solubility: DMSO : 100 mg/mL (341.17 mM; Need ultrasonic)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
In Vitro:
AKR1C1-IN-1 potently inhibits the metabolism of progesterone in AKR1C1-overexpressed BAECs, and with an IC50 of 460 nM.
References:
- El-Kabbani O, et al. Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). J Med Chem. 2009 May 28;52(10):3259-64.
Products are for research use only. Not for human use.
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