ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-met hyloxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrro lidin-3-yl]pent-2-enoate Chemical Properties

Melting point:

170-171°C

Boiling point:

866.7±65.0 °C(Predicted)

Density 

1.213

storage temp. 

room temp

solubility 

Chloroform (Slightly), Methanol (Slightly)

pka

12.16±0.46(Predicted)

form 

powder

color 

white to beige

optical activity

[α]/D +30 to +40°, c = 0.5 in chloroform-d

InChIKey

CAYJBRBGZBCZKO-BHGBQCOSSA-N

SMILES

C(OCC)(=O)/C=C/[C@@H](NC(=O)[C@H](CC1=CC=C(F)C=C1)CC(=O)[C@@H](NC(C1C=C(C)ON=1)=O)C(C)C)C[C@@H]1CCNC1=O

ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-met hyloxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-[(3S)-2-oxopyrro lidin-3-yl]pent-2-enoate Usage And Synthesis

Chemical Properties

White Solid

Uses

Labelled Rupintrivir. Rupintrivir (formerly AG7088) is an irreversible inhibitor of the human rhinovirus (HRV) 3C protease that has been demonstrated to have in vitro activity against all HRVs tested, consistent with its interaction with a strictly conserved subset of amino acids in the 3C protease.

General Description

Rupintrivir is an irreversible peptidomimetic inhibitor designed to target human rhinovirus (HRV). It was previously named as AG7088. It has been suggested that rupintrivir may be involved in vitro antiviral activity.

Biochem/physiol Actions

Rupintrivir (AG7088) is an irreversible human rhinovirus (HRV) 3C protease inhibitor, also found to inhibit enterovirus and norovirus.

in vivo