GRL 0617 - Moligand™, 10mM in DMSO , CAS No.1093070-16-6

CAS: 1093070-16-6 Cat. No.: G420562 Formula: C₂₀H₂₀N₂O Peso molecolare: 304.39

GRADE & PURITY Moligand™, 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Product description

GRL0617 is a selective and competitive noncovalent inhibitor of severe acute respiratory syndrome (SARS-CoV) papain-like protease (PLpro), with an IC50 of 0.6 μM and a Ki value of 0.49 μM. GRL0617 also inhibits SARS-CoV with an EC50 of 14.5 μM. GRL0617 can be used for the research of severe acute respiratory syndrome.

Specifications

Sinonimi

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 |

Specifiche e purezza

Moligand™, 10mM in DMSO

Meccanismi biochimici e fisiologici

Coronavirus papain-like protease (Plpro) inhibitor (IC50values are 0.6 and 0.8 μM for SARS-COV and SARS-CoV-2 PLpro, respectively). Inhibits deubiquitination activity of SARS-CoV PLpro. Displays no inhibition of human deubiquitinating enzymes. Improves ce

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Nomi e identificatori

• Pubchem Sid: 528764641
• Sorrisi canonici: 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
• Isomeri SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
• CAS alternativo: 1093070-16-6
• Termini MeSH: 5-amino-2-methyl-N-((R)-1-(1-naphthyl)ethyl)benzamide;GRL 0617;GRL-0617;GRL0617
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

SARS-CoV-2 (38078 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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