GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

J-000435 | GSK 4716, >=98% (HPLC) | EN300-6474545 | 2gpp | CHEBI:80000 | A16956 | MFCD00567155 | 4-hydroxy-N''-[(1E)-[4-(propan-2-yl)phenyl]methylidene]benzohydrazide | 4-hydroxy-N'-[(E)-[4-(propan-2-yl)phenyl]methylidene]benzohydrazide | HY-33353 | 4-hyd

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Sinónimos

J-000435 | GSK 4716, >=98% (HPLC) | EN300-6474545 | 2gpp | CHEBI:80000 | A16956 | MFCD00567155 | 4-hydroxy-N''-[(1E)-[4-(propan-2-yl)phenyl]methylidene]benzohydrazide | 4-hydroxy-N'-[(E)-[4-(propan-2-yl)phenyl]methylidene]benzohydrazide | HY-33353 | 4-hyd

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

GSK 4716 is an Estrogen-related receptors ERRβ and ERRγ agonist with minimal activity for ERRα, ERα and Erβ

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of Estrogen-related receptor-γ

Nombres e identificadores

• Sonrisas canónicas: CC(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O
• IUPAC Name: 4-hydroxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
• InChIKey: IKPPIUNQWSRCOZ-WOJGMQOQSA-N
• INCHI: 1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
• Isómeros SMILES: CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)O
• Peso molecular: 282.34
• Reaxy-Rn: 24176628
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24176628&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic monoterpenoids
• Alternative Parents: Monocyclic monoterpenoids Phenylpropanes Cumenes Benzoic acids and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Benzoic acid or derivatives - Phenylpropane - Cumene - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring.
• External Descriptors: monoterpenoid

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)

ESRRG Tchem Estrogen-related receptor gamma (1 Activities)

Discover Target: ESRRG

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ESRRA Tchem Estrogen-related receptor alpha (573 Activities)

Discover Target: ESRRA

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

ESRRG Tchem Estrogen-related receptor gamma (587 Activities)

Discover Target: ESRRG

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

U2OS (164939 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Alpha trans-inducing protein (VP16) (945 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 282.340 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.137 Da
• Monoisotopic Mass: 282.137 Da
• Topological Polar Surface Area: 61.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 352.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1