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

CAS: 2412965-59-2 Cat. No.: M288902 Formula: C₃₁H₃₉N₅O₇ Peso molecolare: 593.68

QUALITÀ & PUREZZA ≥97%(HPLC)

Synonyms

tert-Butile (1-((S)-1-(((S)-4-(benzilammino)-3,4-diosso-1-((S)-2-ossopirrolidina-3-il)butan-2-il)ammino)-3-ciclopropil-1-ossopropan-2-il)-2-osso-1,2-diidropiridina-3-il)carbammato

Storage

Conservare a -20°C

Shipped In

Cassetta del ghiaccio + cuscini per il ghiaccio

Specifiche

Sinonimi

tert-Butile (1-((S)-1-(((S)-4-(benzilammino)-3,4-diosso-1-((S)-2-ossopirrolidina-3-il)butan-2-il)ammino)-3-ciclopropil-1-ossopropan-2-il)-2-osso-1,2-diidropiridina-3-il)carbammato

Specifiche e purezza

≥97% (HPLC)

Meccanismi biochimici e fisiologici

Inibitore del Mprof dei coronavirus (i valori IC50 sono 0,58, 0,9 e 0,67 μM per il Mprof ricombinante di MERS-CoV, SARS-CoV e SARS-CoV-2, rispettivamente). Inibisce l'infezione da SARS-CoV-2 delle cellule umane Calu3 (IC50= 4-5 μM).Si noti che dati non pu

Condizioni di conservazione di stoccaggio

Conservare a -20°C

Spedito in

Cassetta del ghiaccio + cuscini per il ghiaccio

Tipo di azione

INHIBITOR

Purezza

≥97%(HPLC)

Nomi e identificatori

Sorrisi canonici

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

Isomeri 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 molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

A549 (127892 Activities)

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Obiettivi associati (non umani)

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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Meccanismi d'azione

Proprietà chimiche e fisiche

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