3-bromo-5-phenyl Salicylic Acid (Synonyms: NSC 109116) |
| Catalog No.GC17302 |
El Ácido 3-bromo-5-fenil salicÍlico es un inhibidor potente y selectivo de la 20α-hidroxiesteroide deshidrogenasa humana (AKR1C1), con un valor de Ki de 4 nM para AKR1C1.
Products are for research use only. Not for human use. We do not sell to patients.
Cas No.: 4906-68-7
Sample solution is provided at 25 µL, 10mM.
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Ki: 140 nM for AKR1C1; 1.97 μM for AKR1C2; 21 μM for AKR1C3
3-bromo-5-phenyl Salicylic acid is an AKR1C1 inhibitor.
The aldo-keto reductase (AKR) enzymes are a family of related NADP-dependent oxidoreductases, in which The 1C subfamily (AKR1C) has 4 human hydroxysteroid dehydrogenases (HSD), a 20α-HSD and the other three being 3α-HSDs. AKR1C1 has been found to metabolize progesterone to 20α-hydroxy progesterone, its inactive progestin.
In vitro: In previous screening study, the additional phenyl group of 3-bromo-5-phenylsalicylic acid, targeting a nonconserved hydrophobic pocket in the active site of AKR1C1, resulted in 21-fold improved potency over the structurally similar 3alpha-hydroxysteroid dehydrogenase isoform (AKR1C2). 3-bromo-5-phenyl Salicylic acid was found to be hydrogen bonded to His117, Tyr55, and His222, and the phenyl ring could form additional van der Waals interactions with residues Phe311, Leu308, and Leu54. In addition, the metabolism of progesterone in AKR1C1-overexpressed cells could be potently inhibited by 3-bromo-5-phenylsalicylic acid, which was effective from 10 nM to 460 nM [1].
In vivo: Up to now, there is no animal in vivo data reported.
Clinical trial: So far, no clinical study has been conducted.
Reference:
[1] El-Kabbani, O. ,Scammells, P.J.,Gosling, J., et al. Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20α-hydroxysteroid dehydrogenase (AKR1C1). Journal of Medicinal Chemistry 52, 3259-3264 (2009).
| Cas No. | 4906-68-7 | SDF | |
| Sinónimos | NSC 109116 | ||
| Chemical Name | 5-bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid | ||
| Canonical SMILES | BrC1=CC(C2=CC=CC=C2)=CC(C(O)=O)=C1O | ||
| Formula | C13H9BrO3 | M.Wt | 293.1 |
| Solubility | ≤0.1mg/ml in ethanol;12.5mg/ml in DMSO;15mg/ml in dimethyl formamide | Storage | Store at -20°C |
| General tips | Please select the appropriate solvent to prepare the stock solution according to the
solubility of the product in different solvents; once the solution is prepared, please store it in
separate packages to avoid product failure caused by repeated freezing and thawing.Storage method
and period of the stock solution: When stored at -80°C, please use it within 6 months; when stored
at -20°C, please use it within 1 month. To increase solubility, heat the tube to 37°C and then oscillate in an ultrasonic bath for some time. |
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| Shipping Condition | Evaluation sample solution: shipped with blue ice. All other sizes available: with RT, or with Blue Ice upon request. | ||
| Prepare stock solution | |||
|
1 mg | 5 mg | 10 mg |
| 1 mM | 3.4118 mL | 17.059 mL | 34.118 mL |
| 5 mM | 0.6824 mL | 3.4118 mL | 6.8236 mL |
| 10 mM | 0.3412 mL | 1.7059 mL | 3.4118 mL |
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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )
Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.
Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.
Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such as vortex, ultrasound or hot water bath can be used to aid dissolving.
3. All of the above co-solvents are available for purchase on the GlpBio website.
Quality Control & SDS
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- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
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Average Rating: 5 (Based on Reviews and 35 reference(s) in Google Scholar.)
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