GRL 0617 - Moligand™, ≥98%(HPLC) , CAS No.1093070-16-6

CAS: 1093070-16-6 Cat. No.: G286912 Formule: C₂₀H₂₀N₂O Poids moléculaire: 304.39

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

5-Amino-2-methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide | GTPL11078 | E73459 | SQH4947NDN | 5-Amino-2-methyl-N-((1R)-1-(1-naphthalenyl)ethyl)benzamide | Cambridge id 6663564 | Q27097846 | Naphthalene and Benzamide Derivative, 25 | 1H-Indole-3-propionate |

Storage

Conserver à -20°C

Shipped In

Glacière + blocs de glace

Vue d’ensemble

Description du produit

Le GRL0617 est un inhibiteur non covalent sélectif et compétitif de la protéase de type papaïne (PLpro) du syndrome respiratoire aigu sévère (SARS-CoV), avec une CI50 de 0,6 μM et une valeur Ki de 0,49 μM. Le GRL0617 inhibe également le SARS-CoV avec une CE50 de 14,5 μM. Le GRL0617 peut être utilisé pour la recherche sur le syndrome respiratoire aigu sévère.

Specifications

Synonymes

5-Amino-2-methyl-N-(1R-naphthalen-1-yl-ethyl)-benzamide | GTPL11078 | E73459 | SQH4947NDN | 5-Amino-2-methyl-N-((1R)-1-(1-naphthalenyl)ethyl)benzamide | Cambridge id 6663564 | Q27097846 | Naphthalene and Benzamide Derivative, 25 | 1H-Indole-3-propionate |

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Inhibiteur de la protéase de type papaïne (Plpro) du coronavirus (les valeurs IC50 sont de 0,6 et 0,8 μM pour SARS-COV et SARS-CoV-2 PLpro, respectivement). Inhibe l'activité de déubiquitination de la PLpro du SARS-CoV. Ne présente aucune inhibition des e

Conditions de stockage de stockage

Conserver à -20°C

Expédié en

Glacière + blocs de glace

Grade

Moligand™

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 488200724
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200724
• Sourires canoniques: CC1=C(C=C(C=C1)N)C(=O)NC(C)C2=CC=CC3=CC=CC=C32
• IUPAC Name: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
• InChIKey: UVERBUNNCOKGNZ-CQSZACIVSA-N
• INCHI: 1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1
• Isomères SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
• CAS alternatif: 1093070-16-6
• Termes d'entrée MeSH: 5-amino-2-methyl-N-((R)-1-(1-naphthyl)ethyl)benzamide;GRL 0617;GRL-0617;GRL0617
• Poids moléculaire: 304.39
• Reaxy-Rn: 33310230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33310230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aminobenzamides o-Toluamides Benzamides Benzoyl derivatives Aniline and substituted anilines Aminotoluenes Secondary carboxylic acid amides Amino acids and derivatives Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Aminobenzamide - Aminobenzoic acid or derivatives - Naphthalene - Benzamide - O-toluamide - Toluamide - Benzoic acid or derivatives - Aminotoluene - Aniline or substituted anilines - Benzoyl - Toluene - Monocyclic benzene moiety - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

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Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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SARS-CoV-2 (38078 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 30.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.44, Max Conc. mM: 100
• Poids moléculaire: 304.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 304.158 Da
• Monoisotopic Mass: 304.158 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 410.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1