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Screening compounds

Rupintrivir

Also known as Ruprintrivir, rupintrivirum, 4-(2-(4-Fluoro-benzyl)-7-methyl-5-((5-methyl-isoxazole-3-carbonyl)-amino)-4-oxo-octanoylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester (AG7088)

CAS 223537-30-2Formula C31H39FN4O7Molar mass 598.67 g/mol
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Rupintrivir chemical structure, C31H39FN4O7, CAS 223537-30-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
223537-30-2
Formula
C31H39FN4O7
Molar mass
598.67 g/mol
HS code
293499
Category
Screening compounds

What is Rupintrivir?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
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
CAS number
223537-30-2 CAS number cross-checked
Molecular formula
C31H39FN4O7
UNII
RGE5K1Q5QW
InChIKey
CAYJBRBGZBCZKO-BHGBQCOSSA-N
InChI
InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1
Canonical SMILES
CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC(=O)C(NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
Isomeric SMILES
CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C

Synonyms

  • Ruprintrivir
  • rupintrivirum
  • 4-(2-(4-Fluoro-benzyl)-7-methyl-5-((5-methyl-isoxazole-3-carbonyl)-amino)-4-oxo-octanoylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester (AG7088)
  • ag7088
  • Rupintrivir-d4
  • AG 7088
  • (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
  • Rupintrivir (USAN/INN)
  • ethyl-3-((5'-methylisoxazole-3'-carbonyl)-Valpsi(COCH2)Phe(4-F)-(pyrrol-Ala))propenoate
  • ethyl (S,E)-4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate
  • (S,E)-ethyl4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate
  • Rupinavir, ethyl (S,E)-4-((2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-(5-methylisoxazole-3-carboxamido)-4-oxoheptanamido)-5-((S)-2-oxopyrrolidin-3-yl)pent-2-enoate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
598.67 g/molcalc.
Exact mass
598.2803 Dacalc.
LogP (octanol/water)
2.82calc.
Topological polar surface area
156.7 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
15calc.
Heavy atoms
43calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.48calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(CNC(=O)c1ccon1)CC(Cc1ccccc1)C(=O)NCCC1CCNC1=O

O=C(CNC(=O)c1ccon1)CC(Cc1ccccc1)C(=O)NCCC1CCNC1=O

3 rings, 31 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Rupintrivir suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    RupintrivirGrade, purity and minimum order on request
    Price on request
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Rupintrivir price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antiviral Agents
  • Protease Inhibitors

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Rupintrivir is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Rupintrivir is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Rupintrivir, based on the data on this page

What is Rupintrivir?

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.

What is the CAS number of Rupintrivir?

The CAS registry number of Rupintrivir is 223537-30-2.

What is the molecular formula and weight of Rupintrivir?

The molecular formula of Rupintrivir is C31H39FN4O7 and its molar mass is 598.67 g/mol.

What is Rupintrivir used for?

Known uses and roles of Rupintrivir include building blocks in research and laboratory, screening compounds in research and laboratory, antiviral agents and protease inhibitors.

Is Rupintrivir hazardous?

No GHS hazard classification for Rupintrivir is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Rupintrivir?

Rupintrivir is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Rupintrivir?

CompoundList lists 1 supplier of Rupintrivir in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Rupintrivir?

Suppliers quote Rupintrivir on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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