Rupintrivir
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Rupintrivir
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CAS No:
223537-30-2
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Formula:
C31H39FN4O7
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Chemical Name:
Rupintrivir
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Synonyms:
2-Pentenoic acid,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)-;AG 7088;Rupintrivir
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CAS No:
Description
Rupintrivir is a rhinovirus 3C protease inhibitor in development for use against human rhinoviral (HRV) infections. Rupintrivir was active against all 48 HRV serotypes tested in a cell protection assay in H1-HeLa cells. It is designed to combat colds caused by rhinovirus.|Rupintrivir is a peptidomimetic inhibitor with activity against human rhinoviruses. Rupintrivir is an irreversible 3C protease inhibitor which blocks processing of viral proteins, thus blocking viral replication.
Drug Information
Investigated for use/treatment in viral infection.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)|Compounds which inhibit or antagonize biosynthesis or actions of proteases (ENDOPEPTIDASES). (See all compounds classified as Protease Inhibitors.)
The 3C protease (3CP) enzyme is central to rhinovirus replication. By binding to and inhibiting this enzyme, AG7088 prevents rhinovirus replication in cells of the respiratory tract and stops cold symptoms developing.
(trans-(4S,2'R,5'S,3''S)-4-(2'-4-(4-fluorobenzyl)-6'-methyl-5'-((5''-methylisoxazole)-3''-carbonylamino)-4-oxoheptanoylamino))-5-(2''-oxopyrrolidin-3'''-yl)pent-2-enoic acid ethyl ester
Computed Properties
Molecular Weight:598.7
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:16
Exact Mass:598.28027776
Monoisotopic Mass:598.28027776
Topological Polar Surface Area:157
Heavy Atom Count:43
Complexity:1010
Defined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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