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

CAS: 1093070-16-6 Cat. No.: G286912 分子式: C₂₀H₂₀N₂O 分子量: 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

概要

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

同義語

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 |

仕様と純度

Moligand™, ≥98%(HPLC)

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

488200724

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488200724

カノニカル・スマイル

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

異性体SMILES

CC1=C(C=C(C=C1)N)C(=O)N[C@H](C)C2=CC=CC3=CC=CC=C32

代替CAS番号

1093070-16-6

MeSH用語

5-amino-2-methyl-N-((R)-1-(1-naphthyl)ethyl)benzamide;GRL 0617;GRL-0617;GRL0617

分子量

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
    • 分類 Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Vero (26788 Activities)

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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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 30.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 30.44, Max Conc. mM: 100
• 分子量: 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