| Field | Specification |
|---|---|
| Alternative names | AG1776; KNI-764 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C32H37N3O5S |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
JE-2147, also known as AG1776 or KNI-764, is a potent dipeptide inhibitor of HIV-1 protease, with a Ki of 0.33 nM. It shows effective activity in vitro against a broad range of HIV-1, HIV-2, simian immunodeficiency virus, and various clinical HIV-1 strains[1][2]. It has the molecular formula C32H37N3O5S and a molecular weight of 575.72.
Physical & Chemical Properties
| CAS Number | 186538-00-1 |
|---|---|
| Molecular Formula | C32H37N3O5S |
| Molecular Weight | 575.72 g/mol |
| SMILES | CC(C=CC=C1)=C1CNC([C@H]2N(CSC2(C)C)C([C@@H](O)[C@@H](NC(C3=C(C(O)=CC=C3)C)=O)CC4=CC=CC=C4)=O)=O |
| Signaling Pathway | Anti-infection; 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
IC50: 44 nM [HIV-1LAI (SI)], 24 nM [HIV-1Ba-L (SI)], 35 nM [HIV-1LAI (NSI)], 47 nM [HIV-2EHO (SI)][1]
Ki:0.33 nM (HIV-1 protease)[2]
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
At 0.01-0.05 μM over 7 days in PBMC and MT-2 cells, JE-2147 shows highly potent antiviral activity against HIV-1, with IC50s of 44 nM, 24 nM, 35 nM and 47 nM against HIV-1LAI (SI), HIV-1Ba-L (SI), HIV-1LAI (NSI) and HIV-2EHO (SI), respectively[1]. It is also effective against replication of HIV-1 IIIB in various cells (T cell, B cell, macrophage, and PBMC), with IC50 values ranging from 31 to 160 nM, and shows antiviral activity against simian immunodeficiency virus and HIV-2[2].
In Vivo
In dogs and rats, JE-2147 shows good oral bioavailability and plasma pharmacokinetic profiles[2].
Pharmacokinetic Parameters of JE-2147 in beagle dogs and male Sprague-Dawley rats[2]
| Sprague-Dawley rats | Beagle dogs | ||||
| i.v., 10 mg/kg | i.d., 10 mg/kg | i.v., 25 mg/kg | p.o.(fed), 25 mg/kg | p.o.(fasted), 25 mg/kg | |
| t1/2β (min) | 93 | / | 94 | / | / |
| Cmax (μM) | / | 0.70 ± 0.20 | / | 4.02 ± 0.72 | 5.30 ± 1.13 |
| Tmax (min) | / | 60 | / | 90 | 60 |
| F (%) | / | 41.6 ± 10.7 | / | 32.6 ± 0.06 | 37.1 ± 0.08 |
| CL (L/h/kg) | / | / | 0.88 ± 0.09 | / | / |
| Vd, ss (L/kg) | / | / | 1.58 | / | / |
| AUC0-24 (μM·min) | / | / | / | 1009 | 1149 |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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