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JE-2147

Cat. No. M28968
JE-2147 Structure
Synonym:

AG1776; KNI-764

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Biological Activity

JE-2147 (AG1776) is a potent dipeptide protease inhibitor with a Ki of 0.33 nM for HIV-1 protease. JE-2147 has effective activities against a wide spectrum of HIV-1, HIV-2, simian immunodeficiency virus, and various clinical HIV-1 strains in vitro.

Chemical Information
Molecular Weight 575.72
Formula C32H37N3O5S
CAS Number 186538-00-1
Storage Please store the product under the recommended conditions in the Certificate of Analysis.
Conversion of different model animals based on BSA (PMID: 27057123)
Species Mouse Rat Rabbit Guinea pig Hamster Dog
Weight (kg) 0.02 0.15 1.8 0.4 0.08 10
Body Surface Area (m2) 0.007 0.025 0.15 0.05 0.02 0.5
Km factor 3 6 12 8 5 20
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of Compound A used for a mouse (20 mg/kg) to a dose based on the BSA for a rat, multiply 20 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for Compound A of 10 mg/kg.

References

[1] Priyanka Purohit, et al. J Biomol Struct Dyn. Molecular insights to the binding interactions of APNS containing HIV-protease inhibitors against SARS-CoV-2 Mpro: an in silico approach towards drug repurposing

[2] Pradipta Bandyopadhyay, et al. Chem Biol Drug Des. Drug resistance of HIV-1 protease against JE-2147: I47V mutation investigated by molecular dynamics simulation

[3] John T Randolph, et al. Curr Top Med Chem. Peptidomimetic inhibitors of HIV protease

[4] K Kinkead Reiling, et al. Biochemistry. Anisotropic dynamics of the JE-2147-HIV protease complex: drug resistance and thermodynamic binding mode examined in a 1.09 A structure

[5] K Yoshimura, et al. Proc Natl Acad Sci U S A. JE-2147: a dipeptide protease inhibitor (PI) that potently inhibits multi-PI-resistant HIV-1

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Keywords: JE-2147, AG1776; KNI-764 supplier, HIV Protease, inhibitors, activators


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