| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C20H18N2O |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
hCYP3A4-IN-1 is a potent, orally active hCYP3A4 inhibitor, with IC50 values of 43.93 nM in human liver microsomes and 153.00 nM in a CHO-3A4 stably transfected cell line. It also inhibits CYP3A4-catalyzed N-ethyl-1,8-naphthalimide (NEN) hydroxylation in a competitive manner, with a Ki of 30.00 nM[1]. It has a molecular formula of C20H18N2O and a molecular weight of 302.37 g/mol.
Physical & Chemical Properties
| CAS Number | 3003751-14-9 |
|---|---|
| Molecular Formula | C20H18N2O |
| Molecular Weight | 302.37 g/mol |
| SMILES | CN(C)C1=CC=C(C(/C=C/C2=CC(C=CN=C3)=C3C=C2)=O)C=C1 |
| Target | CYP3A4 |
| Signaling Pathway | Metabolic Enzyme/Protease |
| 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
|
CYP3A4 43.93 nM (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 Vivo
In HLMs, hCYP3A4-IN-1 shows suitable metabolic stability, and it shows good safety profiles in mice[1]. In mice, hCYP3A4-IN-1 (100 mg/kg, oral administration, once) raises the AUC(0-inf) of midazolam (i.g. 10 mg/kg) significantly, by 3.63-fold, and strongly prolongs its half-life by 1.66-fold relative to the vehicle group[1].
Pharmacokinetic Parameters of hCYP3A4-IN-1 in mice[1]
| CMC-Na + Midazolam | C6 (25 mg/kg) + Midazolam | C6 (100 mg/kg) + Midazolam | |
| Tmax (min) | 8.00 ± 2.74 | 5.83 ± 2.04 | 10.00 ± 0.00 |
| Cmax (ng/mL) | 194.20 ± 138.88 | 312.00 ± 141.40 | 494.67 ± 210.22 |
| AUC0-24 (ng/mL∗min) | 7520.83 ± 2413.78 | 14784.92 ± 3501.33 | 27330.95 ± 6664.85 |
| t1/2 (min) | 36.33 ± 14.46 | 54.96 ± 20.87 | 60.37 ± 27.67 |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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