BI 653048
Based on 1 Customer Validation
BI 653048, a chemical probe, is a selective and orally active nonsteroidal glucocorticoid (GC) agonist with an IC50 value of 55 nM. BI 653048 inhibits CP1A2, CYP2D6, CYP2C9, CYP2C19 and CYP3A4 isoforms’ activity and reduces affinity for the hERG ion channel (IC50>30 μM). BI 653048 (Compound 103) is also a HCV NS3 protease inhibitor that can reduce viral loads infected with the hepatitis C virus.
商品は「研究用試薬」です。人や動物の医療用・臨床診断用・食品用の製品ではありません。
研究用途以外に使用した場合、当社は一切の責任を負いかねます。
The BI 653048 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
- 純度: 99.84%
- CAS 番号: 1198784-72-3
- 分子式: C23H25F4N3O4S
- 分子量:515.52
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保管条件:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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生物活性
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化学情報
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溶剤 & 溶解度
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
生物活性
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CYP1A2 50 μM (IC50) |
CYP2D6 41 μM (IC50) |
CYP2C9 12 μM (IC50) |
CYP2C19 9 μM (IC50) |
CYP3A4 8 μM (IC50) |
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK293 | IC50 |
>30 μM
Compound: (R)-39
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Inhibition of human ERG channel expressed in recombinant HEK293 cells by whole cell patch-clamp technique
Inhibition of human ERG channel expressed in recombinant HEK293 cells by whole cell patch-clamp technique
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[PMID: 25516791] |
| HFF | IC50 |
23 nM
Compound: (R)-39
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Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production
Agonist activity at GR in HFF cells assessed as suppression of IL-1-induced IL-6 production
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[PMID: 25516791] |
| RAW | IC50 |
600 nM
Compound: (R)-39
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Agonist activity at GR in mouse RAW cells assessed as suppression of TNF-alpha-induced IL-6 production
Agonist activity at GR in mouse RAW cells assessed as suppression of TNF-alpha-induced IL-6 production
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[PMID: 25516791] |
BI 653048 exhibits an improved drug-like properties, inhibits CP1A2 ,CYP2D6 ,CYP2C9, CYP2C19 and CYP3A4 with IC50 values of 50 μM, 41 μM, 12 μM, 9 μM,and 8 μM, respectively[2]. BI 653048 reduces affinity for the hERG ion channel with an IC50>30 μM in recombinant HEK293 cells expressing the human ERG potassium channel[2]. BI 653048 inhibits TNF-stimulated IL-6 production in mouse RAW cells with an IC50 value of 100 nM[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Mice[2]
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Dosage:3, 10, and 30 mg/kg
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Administration:Oral administration
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Result:Exhibits significant decreases for all measured histology parameters at high doses.
化学情報
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CAS 番号 1198784-72-3
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性状 Solid
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分子量 515.52
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分子式 C23H25F4N3O4S
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Color White to off-white
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SMILES
O=C(N)C1=CC(F)=CC=C1C(C)(C)C[C@@](O)(CC(N2)=CC3=C2C=NC(S(=O)(CC)=O)=C3)C(F)(F)F
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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
溶剤 & 溶解度
DMSO : 100 mg/mL (193.98 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
純度とドキュメンテーション
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データシート (275 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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取扱説明書 (2659 KB)
参考文献
[1]. Reeves JT, et al. Development of a large scale asymmetric synthesis of the glucocorticoid agonist BI 653048 BS H3PO4.J Org Chem. 2013 Apr 19;78(8):3616-35. [Content Brief]
[2]. Harcken C, et al. Optimization of drug-like properties of nonsteroidal glucocorticoid mimetics and identification of a clinical candidate.ACS Med Chem Lett. 2014 Nov 20;5(12):1318-23. [Content Brief]
[3]. Montse Llinas-Brunet, et al. Latest bibliographic data on file with the International Bureau
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.9398 mL | 9.6989 mL | 19.3979 mL | 48.4947 mL |
| 5 mM | 0.3880 mL | 1.9398 mL | 3.8796 mL | 9.6989 mL | |
| 10 mM | 0.1940 mL | 0.9699 mL | 1.9398 mL | 4.8495 mL | |
| 15 mM | 0.1293 mL | 0.6466 mL | 1.2932 mL | 3.2330 mL | |
| 20 mM | 0.0970 mL | 0.4849 mL | 0.9699 mL | 2.4247 mL | |
| 25 mM | 0.0776 mL | 0.3880 mL | 0.7759 mL | 1.9398 mL | |
| 30 mM | 0.0647 mL | 0.3233 mL | 0.6466 mL | 1.6165 mL | |
| 40 mM | 0.0485 mL | 0.2425 mL | 0.4849 mL | 1.2124 mL | |
| 50 mM | 0.0388 mL | 0.1940 mL | 0.3880 mL | 0.9699 mL | |
| 60 mM | 0.0323 mL | 0.1616 mL | 0.3233 mL | 0.8082 mL | |
| 80 mM | 0.0242 mL | 0.1212 mL | 0.2425 mL | 0.6062 mL | |
| 100 mM | 0.0194 mL | 0.0970 mL | 0.1940 mL | 0.4849 mL |
BI 653048 関連分類
HY-12946 関連分類
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