BAY-1128688
Based on 1 Customer Validation
BAY-1128688 is a selective, orally active aldo-keto reductase family 1 member C3 (AKR1C3) inhibitor with an IC50 of 1.4 nM. BAY-1128688 inhibits OATP, BSEP, MRP4, NTCP, UGT1A1, MRP2, and MRP3. BAY-1128688 induces reactive oxygen species (ROS) production, inhibits the mitochondrial electron transport chain, and increases circulating androsterone, etiocholanolone, dihydrotestosterone, and serum bilirubin concentrations. BAY-1128688 alters bilirubin disposition, leading to elevated plasma bilirubin, independent of liver injury. BAY-1128688 can be used in research on endometriosis and polycystic ovary syndrome.
For research use only. We do not sell to patients.
- Purity : 98.49%
- CAS No.: 1428988-21-9
- Formula: C28H31FN2O3
- Molecular Weight:462.56
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Storage:
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
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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Solvent & Solubility
- Protocols
- Purity & Documentation
- References
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Help & FAQs
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Biological Activity
Description
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AKR1C3 1.4 nM (IC50) |
UGT1A1 1.2 (Ki) |
BSEP 3.6 μM (IC50) |
MRP4 0.97 μM (IC50) |
NTCP 47 μM (IC50) |
MRP2 2.4 μM (IC50) |
MRP3 3.1 μM (IC50) |
In Vitro
BAY-1128688 (1.56-100 μM; 50 min) acts as a weak ETC inhibitor in HepG2 cells, with a Vmax of 0.345 and a Km of 3,472.2 μM for ETC inhibition[1].
BAY-1128688 inhibits BSEP (IC50 = 3.6 μM) in the vesicular transport inhibition assay, basolateral bile acid transport with a constant of 0.97 μM (the lowest among the MRP3 and MRP4 IC50 values), and NTCP (IC50 = 47 μM)[1].
BAY-1128688 inhibits UGT1A1-mediated bilirubin glucuronidation in pooled liver microsomes, with an optimized inhibition constant of 4.1 μM (Ki = 1.2 μM)[1].
BAY-1128688 inhibits the bilirubin transporters MRP2 (IC50 = 2.4 μM), MRP3 (IC50 = 3.1 μM), and OATP (IC50 = 3.1 μM) in vesicular transport inhibition assays[1].
BAY-1128688 is a selective and potent human AKR1C3 inhibitor with an IC50 of 1.4 nM[2].
The hepatotoxicity of BAY1128688 is primarily caused by hepatic bile acid accumulation resulting from inhibition of the bile salt export pump[3].
BAY-1128688 (0.39-100 μM; 2 h) induces oxidative stress in HepG2 cells, with a RNS/ROS generation rate Vmax of 0.039 1/h, a Km of 1,250 μM, and a Hill coefficient of 10[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date |
Phase
|
|---|---|---|---|---|
| NCT01329991 | Plexxikon| | 2011-05 | PHASE1 |
Chemical Information
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CAS No. 1428988-21-9
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Appearance Solid
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Molecular Weight 462.56
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Formula C28H31FN2O3
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Color White to off-white
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SMILES
C[C@@]12[C@](CC=C2C3=CN=CC(F)=C3)([H])[C@@]4([H])[C@@](CC1)([H])C5=CC=C(C(N(C)CCC(O)=O)=O)C=C5CC4
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
-20°C, protect from light, stored under nitrogen
* In solvent : -80°C, 6 months; -20°C, 1 month (protect from light, stored under nitrogen)
Solvent & Solubility
In Vitro:
DMSO : 25 mg/mL (54.05 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 (protect from light, stored under nitrogen). 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 (protect from light, stored under nitrogen). 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)
Purity & Documentation
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Data Sheet (284 KB)
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SDS (252 KB)
- English - EN (252 KB)
- Français - FR (252 KB)
- Deutsch - DE (252 KB)
- Norwegian - NO (252 KB)
- Español - ES (252 KB)
- Swedish - SV (252 KB)
- Italian - IT (252 KB)
- Korean - KR (252 KB)
- Portuguese - PT (252 KB)
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Handling Instructions (2659 KB)
References
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 (protect from light, stored under nitrogen). 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 | 2.1619 mL | 10.8094 mL | 21.6188 mL | 54.0470 mL |
| 5 mM | 0.4324 mL | 2.1619 mL | 4.3238 mL | 10.8094 mL | |
| 10 mM | 0.2162 mL | 1.0809 mL | 2.1619 mL | 5.4047 mL | |
| 15 mM | 0.1441 mL | 0.7206 mL | 1.4413 mL | 3.6031 mL | |
| 20 mM | 0.1081 mL | 0.5405 mL | 1.0809 mL | 2.7024 mL | |
| 25 mM | 0.0865 mL | 0.4324 mL | 0.8648 mL | 2.1619 mL | |
| 30 mM | 0.0721 mL | 0.3603 mL | 0.7206 mL | 1.8016 mL | |
| 40 mM | 0.0540 mL | 0.2702 mL | 0.5405 mL | 1.3512 mL | |
| 50 mM | 0.0432 mL | 0.2162 mL | 0.4324 mL | 1.0809 mL |
BAY-1128688 Related Classifications
HY-156701 Related Classifications
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Keywords
- BAY-1128688
- 1428988-21-9
- BAY1128688
- BAY 1128688
- 17β-HSD
- Reactive Oxygen Species (ROS)
- UGT
- organic anion-transporting polypeptide (OATP)
- bile salt export pump (BSEP)
- aldo-keto reductase family 1 member C3 (AKR1C3)
- uridine diphosphate-glucuronosyltransferase 1A1 (UGT1A1)
- multidrug resistance-associated protein 2 (MRP2)
- multidrug resistance-associated protein 4 (MRP4)
- sodium taurocholate co-transporting polypeptide (NTCP)
- multidrug resistance-associated protein 3 (MRP3)
- polycystic ovary syndrome
- endometriosis
- Inhibitor
- inhibitor
- inhibit