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

CAS: 1093070-16-6 Cat. No.: G286912 Molecular Weight: 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

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

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 |

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200724
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200724
• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32
• Alternate CAS: 1093070-16-6
• MeSH Entry Terms: 5-amino-2-methyl-N-((R)-1-(1-naphthyl)ethyl)benzamide;GRL 0617;GRL-0617;GRL0617
• Molecular Weight: 304.39
• Reaxy-Rn: 33310230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33310230&ln=

Associated Targets(non-human)

Vero (26788 Activities)

Explore this target

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

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)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 30.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.44, Max Conc. mM: 100
• Molecular Weight: 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