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3-bromo-5-phenyl Salicylic Acid
本产品不向个人销售，仅用作科学研究，不用于任何人体实验及非科研性质的动物实验。
3-bromo-5-phenyl Salicylic Acid图片
CAS NO:4906-68-7
包装与价格：
包装价格(元)
1mg电议
5mg电议
10mg电议
25mg电议

产品介绍

化学性质

Physical AppearanceA crystalline solid
StorageStore at -20°C
M.Wt293.1
Cas No.4906-68-7
FormulaC13H9BrO3
SynonymsNSC 109116
Solubility≤0.1mg/ml in ethanol;12.5mg/ml in DMSO;15mg/ml in dimethyl formamide
Chemical Name5-bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
Canonical SMILESBrC1=CC(C2=CC=CC=C2)=CC(C(O)=O)=C1O
运输条件蓝冰运输或根据您的需求运输。
一般建议为了使其更好的溶解，请用37℃加热试管并在超声波水浴中震动片刻。不同厂家不同批次产品溶解度各有差异，仅做参考。若实验所需浓度过大至产品溶解极限，请添加助溶剂助溶或自行调整浓度。溶液形式一般不宜长期储存，请尽快用完。

资料参考

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).