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

CAS: 2412965-59-2 Cat. No.: M288902 Peso molecular: 593.68

GRADE & PURITY ≥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

Specifications

Sinónimos

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

Especificaciones y pureza

≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

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 Inhibits SARS-CoV-2 infection of human Calu3 cells (IC50= 4-5 μM).Please note, unpublished data suggest MPro 13b is

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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
• Peso molecular: 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
    • Clase Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

A549 (127892 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

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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Mecanismos de acción

Propiedades químicas y físicas

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