| Field | Specification |
|---|---|
| Target | |
| Applications | |
| Molecular weight | |
| Molecular formula | C20H18F2N2O2 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
MAO-B-IN-20 is a potent inhibitor of MAO-B, with an IC50 of 0.037 μM. The compound shows good metabolic stability together with permeability across the blood-brain barrier, and it can be used in Parkinson's disease research[1]. It has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol.
Physical & Chemical Properties
| Molecular Formula | C20H18F2N2O2 |
|---|---|
| Molecular Weight | 356.37 g/mol |
| SMILES | NC([C@@H]1C[C@@H](CN1CC2=CC3=C(OC(C4=CC=C(C=C4)F)=C3)C=C2)F)=O |
| Target | MAO-B, MAO-A |
| Signaling Pathway | Neuronal Signaling |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
MAO-B 0.037 μM (IC50) |
MAO-A >10 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
MAO-B-IN-20 is able to fit well into the active site of MAO-B, with a binding mode similar to that of Safinamide[1].
In Vivo
MAO-B-IN-20 (Compound C14; 5 mg/kg; i.v.) is absorbed rapidly and crosses the blood-brain barrier within 15 min, with Cmax reached at 60 min in plasma and brain alike. MAO-B-IN-20 shows an adequate brain-to-plasma ratio of 16.20 and a high brain concentration (8753 ng/g) at 60 min[1]. MAO-B-IN-20 (0.08-1.28 mg/kg; i.p.; given once) strongly suppresses MAO-B activity in the mouse brain in a dose-dependent manner[1]. MAO-B-IN-20 (0.3-3 mg/kg; i.p.; once) shows potential efficacy against dopamine deficits in the MPTP-induced mouse model and significantly raises dopamine concentration in the striatum[1]. Pharmacokinetic profile in SD rats of MAO-B-IN-20a[1]
| Compound | Route | Dose (mg/kg) | Cmax (ng/mL) | AUCt (ng•h/mL) | T1/2 (h) | Vss (L/kg) | CL (mL/min/kg) | F (%) |
| MAO-B-IN-20 | iv | 1 | 273 | 305 | 0.74 | 3.33 | 54.2 | / |
| ig | 5 | 436 | 2280 | 4.22 | / | / | 149.5 |
aFasted male SD rats. Dosing volume was 5 mL/kg for ig administration and 1 mL/kg for iv administration. Abbreviations used: Cmax stands for maximum concentration. AUCt stands for the area under the plasma concentration-time curve from time 0 to the last time of quantifiable concentration. T1/2 stands for elimination half time, Vss for the volume of steady-state distribution, CL for plasma clearance, and F for bioavailability. MAO-B-IN-20: pharmacokinetic profile in ICR micea[1]
| Compound | Route | Dose (mg/kg) | Cmax (ng/mL) | AUCt (ng•h/mL) | T1/2 (h) | Vss (L/kg) | CL (mL/min/kg) | F (%) |
| MAO-B-IN-20 | iv | 2 | 900 | 2680 | 3.37 | 2.72 | 11 | / |
| ig | 5 | 913 | 7950 | 3.80 | / | / | 104.8 |
aFasted male ICR mice. Dosing volume was 5 mL/kg for ig administration and 2 mL/kg for iv administration. Abbreviations used: Cmax stands for maximum concentration. AUCt stands for the area under the plasma concentration-time curve from time 0 to the last time of quantifiable concentration. T1/2 stands for elimination half time, Vss for the volume of steady-state distribution, CL for plasma clearance, and F for bioavailability.
| Animal Model | MPTP-induced acute mouse model of PD[1] |
|---|---|
| Dosage | 0.3, 1.0, 3.0 mg/kg |
| Administration | Intraperitoneal injection, 30 min before MPTP (20 mg/kg, ip) injection |
| Result | Dopamine concentration in the striatum of mice significantly increased compared with the MPTP-alone-injected group. |
| Animal Model | SD rats and ICR mice[1] |
|---|---|
| Dosage | 1, 2 and 5 mg/kg |
| Administration | IV and IG (Pharmacokinetic Analysis) |
| Result | Showed good pharmacokinetic profiles. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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