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.
연구목적의 판매만을 진행합니다. 환자를 대상으로 한 판매는 하지 않습니다.
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.
- Purity: 99.84%
- CAS No.: 1198784-72-3
- 화학식: C23H25F4N3O4S
- 분자량:515.52
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보관: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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Biological Activity
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Chemical Information
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용액&용해도
- 순도&문서
- References
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Help & FAQs
Biological Activity
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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.
Chemical Information
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CAS No. 1198784-72-3
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Appearance Solid
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분자량 515.52
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화학식 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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선적
Room temperature in continental US; may vary elsewhere.
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보관
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
용액&용해도
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
순도&문서
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Data Sheet (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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Handling Instructions (2659 KB)
References
[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 Related Classifications
HY-12946 Related Classifications
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