3-bromo-5-phenyl Salicylic Acid
(Synonyms: NSC 109116) 目录号 : GC17302
Inhibitor of aldo-keto reductase 1C1 (AKR1C1)
Cas No.:4906-68-7
Sample solution is provided at 25 µL, 10mM.
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Quality Control & SDS
- View current batch:
- Purity: >98.00%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
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 | |
| 别名 | NSC 109116 | ||
| 化学名 | 5-bromo-4-hydroxy-[1,1'-biphenyl]-3-carboxylic acid | ||
| Canonical SMILES | BrC1=CC(C2=CC=CC=C2)=CC(C(O)=O)=C1O | ||
| 分子式 | C13H9BrO3 | 分子量 | 293.1 |
| 溶解度 | ≤0.1mg/ml in ethanol;12.5mg/ml in DMSO;15mg/ml in dimethyl formamide | 储存条件 | Store at -20°C |
| General tips | 请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。 储备液的保存方式和期限：-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。 为了提高溶解度，请将管子加热至37℃，然后在超声波浴中震荡一段时间。 |
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| Shipping Condition | 评估样品解决方案：配备蓝冰进行发货。所有其他可用尺寸：配备RT，或根据请求配备蓝冰。 | ||
| 制备储备液 | |||
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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 |
| 第一步：请输入基本实验信息（考虑到实验过程中的损耗，建议多配一只动物的药量） | ||||||||||
| 给药剂量 | mg/kg |  |
动物平均体重 | g | |
每只动物给药体积 | ul | |
动物数量 | 只 |
| 第二步：请输入动物体内配方组成（配方适用于不溶于水的药物；不同批次药物配方比例不同，请联系GLPBIO为您提供正确的澄清溶液配方） | ||||||||||
| % DMSO % % Tween 80 % saline | ||||||||||
| 计算重置 | ||||||||||
计算结果:
工作液浓度： mg/ml；
DMSO母液配制方法： mg 药物溶于 μL DMSO溶液（母液浓度 mg/mL，
体内配方配制方法：取 μL DMSO母液，加入 μL PEG300，混匀澄清后加入μL Tween 80，混匀澄清后加入 μL saline，混匀澄清。
1. 首先保证母液是澄清的；
2.
一定要按照顺序依次将溶剂加入，进行下一步操作之前必须保证上一步操作得到的是澄清的溶液，可采用涡旋、超声或水浴加热等物理方法助溶。
3. 以上所有助溶剂都可在 GlpBio 网站选购。