GEN-6776 - Moligand™,≥98% , CAS No.2009273-71-4

CAS: 2009273-71-4 Cat. No.: G413680 Peso molecular: 348.4

GRADE & PURITY Moligand™, ≥98%

Synonyms

[3,​3'-​Bipyridine]​-​6-​carboxamide,6'-​amino-​4'-​ethyl-​5'-​(4-​hydroxyphenyl)​-​N-​methyl- | 6'-Amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

GNE-6776 is a selective and orally bioavailable USP7 inhibitor.

Specifications

Sinónimos

[3, ​3'-​Bipyridine]​-​6-​carboxamide, 6'-​amino-​4'-​ethyl-​5'-​(4-​hydroxyphenyl)​-​N-​methyl- | 6'-Amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3, 3'-bipyridine]-6-carboxamide

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

GNE-6776 is a potent, non-covalent, selective and orally bioavailable inhibitor of USP7 with IC50 of 1.34 μM and 0.61 μM for full length USP7 and USP7 catalytic domain, respectively.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC1=C(C(=NC=C1C2=CN=C(C=C2)C(=O)NC)N)C3=CC=C(C=C3)O
• IUPAC Name: 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)pyridin-3-yl]-N-methylpyridine-2-carboxamide
• InChIKey: UCYSSYGGXOFJKK-UHFFFAOYSA-N
• INCHI: 1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
• Isómeros SMILES: CCC1=C(C(=NC=C1C2=CN=C(C=C2)C(=O)NC)N)C3=CC=C(C=C3)O
• CAS alternativo: 2009273-60-1
• Peso molecular: 348.4
• Reaxy-Rn: 30049240
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30049240&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Phenylpyridines Pyridinecarboxamides 2-heteroaryl carboxamides Aminopyridines and derivatives 1-hydroxy-2-unsubstituted benzenoids Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Bipyridine - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - 2-heteroaryl carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aminopyridine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Objetivos asociados (humanos)

EOL1 (427 Activities)

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

HCT-116 (91556 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 70 mg/mL (200.91 mM); Ethanol: 2 mg/mL (5.74 mM); Water: Insoluble
• Sensibilidad: light sensitive
• Peso molecular: 348.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 348.159 Da
• Monoisotopic Mass: 348.159 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 467.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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