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223537-30-2

223537-30-2 Structure

223537-30-2 Structure
IdentificationBack Directory
[Name]

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
[CAS]

223537-30-2
[Synonyms]

AG 7088
Aids121840
Aids-121840
Rupintrivir
Ruprintrivir
AG 7088 - Rupintrivir | Ruprintrivir
ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-met hyloxazole-3-carbonyl)amino]-
(S,E)-Ethyl 4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate
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
(2E,4S)-4-[[(2R,5S)-2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid
ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Ethyl (2E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate
(2E,4S)-4-[[(2R,5S)-2-[(4-Fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid ethyl ester
2-Pentenoicacid,4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-, ethyl ester, (2E,4S)-
[Molecular Formula]

C31H39FN4O7
[MDL Number]

MFCD13185163
[MOL File]

223537-30-2.mol
[Molecular Weight]

598.66
Chemical PropertiesBack Directory
[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)
[form ]

powder
[pka]

12.16±0.46(Predicted)
[color ]

white to beige
[Optical Rotation]

[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
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[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]

Rupintrivirvr (AG7088) reduces RV-induced TH-2 cytokine IL-4 in precision-cut lung slices (PCLS) of HDM-sensitized mice ex vivo[2].

Spectrum DetailBack Directory
[Spectrum Detail]

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(223537-30-2)1HNMR
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