17β-HSD13-IN-1
17β-HSD13-IN-1 is a selective 17β-HSD13 inhibitor with a human IC50 of 9 nM, high selectivity over 17β-HSD1, nanomolar cellular activity, broad pH solubility, extended rodent plasma mean residence times, and high oral bioavailability in Mus musculus. 17β-HSD13-IN-1 engages in hydrophobic interactions with specific active-site amino acids of its target enzyme. 17β-HSD13-IN-1 can be used for the research of metabolic dysfunction-associated steatohepatitis (mash).
For research use only. We do not sell to patients.
- Formula: C25H26F7N5O3
- Molecular Weight:577.49
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
IC50 & Target
[1]|
17β-HSD13 9 nM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK-293T | IC50 |
14 nM
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Inhibition of human 17β-HSD13 activity in transiently transfected 293T cells, with cells pretreated for 1 h at 37 °C with 5% CO2 before addition of 17β-estradiol substrate and 16 h incubation, quantified via LC-MS.
Inhibition of human 17β-HSD13 activity in transiently transfected 293T cells, with cells pretreated for 1 h at 37 °C with 5% CO2 before addition of 17β-estradiol substrate and 16 h incubation, quantified via LC-MS.
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42593936 |
In Vitro
17β-HSD13-IN-1 (compound 25) potently inhibits purified recombinant human 17β-HSD13 enzyme with an IC50 of 9 nM[1].
17β-HSD13-IN-1 potently inhibits human 17β-HSD13 activity in transiently transfected 293T cells with an IC50 of 14 nM[1].
17β-HSD13-IN-1 shows 3376-fold selectivity for human 17β-HSD13 over human 17β-HSD1[1].
17β-HSD13-IN-1 (up to 40 μM) has CYP inhibition IC50 values greater than 40 μM for CYP3A4, CYP2D6, and CYP2C9[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Parmacokinetics
| Species | Dose | Route | CLplasma | Vdss | T1/2 |
|---|---|---|---|---|---|
| Mice[1] | 2 mg/kg | i.v. | 36 mL/min/kg | 2.4 L/kg | 1.1 h |
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:unspecified strain[1]
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Dosage:2 mg/kg
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Administration:i.v.; single dose
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Result:Demonstrated a plasma clearance (Clp) of 36 mL/min/kg, volume of distribution at steady state (Vdss) of 2.4 L/kg, unbound fraction in plasma (fu) of 0.012, and half-life (t1/2) of 1.1 h.
Chemical Information
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Molecular Weight 577.49
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Formula C25H26F7N5O3
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SMILES
O=C(C1(C(F)(F)F)CCC1)N2CCC(C(C3=CC=C(NC(C4=NC=C(F)C(O)=N4)=O)N=C3C)CC(F)(F)F)CC2
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
17β-HSD13-IN-1 Related Classifications
HY-189008 Related Classifications
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