Rupintrivir

Base Information

• Chemical Name: Rupintrivir
• CAS No.: 223537-30-2
• Molecular Formula: C31H39FN4O7
• Molecular Weight: 598.66
• UNII: RGE5K1Q5QW
• DSSTox Substance ID: DTXSID201028116
• Nikkaji Number: J1.100.565I,J1.209.062E
• Wikipedia: Rupintrivir
• Wikidata: Q27095569
• NCI Thesaurus Code: C82255
• Metabolomics Workbench ID: 144525
• ChEMBL ID: CHEMBL20210
• Mol file: 223537-30-2.mol

Synonyms:(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;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)-2-pentenoic acid;AG 7088;AG-7088;AG7088;ethyl-3-((5'-methylisoxazole-3'-carbonyl)-Valpsi(COCH2)Phe(4-F)-(pyrrol-Ala))propenoate;rupintrivir;ruprintrivir

Chemical Property of Rupintrivir

Chemical Property:

• Vapor Pressure: 1.87E-30mmHg at 25°C
• Melting Point: 170-171°C
• Refractive Index: 1.537
• Boiling Point: 866.7 °C at 760 mmHg
• Flash Point: 477.9 °C
• PSA: 156.70000
• Density: 1.213 g/cm³
• LogP: 3.93550
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 598.28027776
• Heavy Atom Count: 43
• Complexity: 1010

Purity/Quality:

98%,99%, ^*data from raw suppliers

Rupintrivir ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)C
• 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
• 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. 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.