3-bromo-5-phenyl Salicylic Acid

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:

1. 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.