MPro 13b - ≥97%(HPLC) , CAS No.2412965-59-2

CAS: 2412965-59-2 Cat. No.: M288902 Summenformel: C₃₁H₃₉N₅O₇ Molekulargewicht: 593.68

QUALITÄT & REINHEIT ≥97%(HPLC)

Synonyms

tert-Butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spezifikationen

Synonyme

tert-Butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate

Spezifikationen & Reinheit

≥97%(HPLC)

Biochemische und physiologische Mechanismen

Coronavirus Mproinhibitor (IC50values are 0.58, 0.9 and 0.67 μM for recombinant Mprofrom MERS-CoV, SARS-CoV and SARS-CoV-2, respectively). Inhibits SARS-CoV-2 infection of human Calu3 cells (IC50= 4-5 μM).Please note, unpublished data suggest MPro 13b is

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥97%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

CC(C)(OC(NC1=CC=CN(C1=O)[C@H](C(N[C@H](C(C(NCC2=CC=CC=C2)=O)=O)C[C@@H]3CCNC3=O)=O)CC4CC4)=O)C

InChIKey

NLVRHQFXQFSBQK-XWGVYQGASA-N

Isomere SMILES

CC(C)(C)OC(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)C(=O)NCC4=CC=CC=C4

Molekulargewicht

593.68

Reaxy-Rn

35973844

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35973844&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Dihydropyridines Pyrrolidine-2-ones N-acyl amines Benzene and substituted derivatives Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Organic carbonic acids and derivatives Lactams Ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinone - Dihydropyridine - Fatty acyl - Benzenoid - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Fatty amide - Monocyclic benzene moiety - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Secondary carboxylic acid amide - Carbonic acid derivative - Lactam - Ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

A549 (127892 Activities)

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Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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SARS-CoV-2 (38078 Activities)

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SARS-CoV (424 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 59.37, Max Conc. mM: 100