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

CAS: 2412965-59-2 Cat. No.: M288902 Formule: C₃₁H₃₉N₅O₇ Poids moléculaire: 593.68

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥97%(HPLC)

Mécanismes biochimiques et physiologiques

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 Inhibits SARS-CoV-2 infection of human Calu3 cells (IC50= 4-5 μM).Please note, unpublished data suggest MPro 13b is

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥97%(HPLC)

Noms et identifiants

Sourires canoniques

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

Isomères 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

Poids moléculaire

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
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

A549 (127892 Activities)

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Cibles associées (non humaines)

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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Mécanismes d'action

Propriétés chimiques et physiques

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