GSK 4716 - Moligand™, 10mM in DMSO , Agonist of Estrogen-related receptor-γ, CAS No.101574-65-6, Agonist of Estrogen-related receptor-γ

CAS: 101574-65-6 Cat. No.: G420320 Summenformel: C₁₇H₁₈N₂O₂ Molekulargewicht: 282.34 EG-Nummer: 682-923-4

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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of Estrogen-related receptor-γ

Namen und Kennungen

Pubchem Sid

528764654

Kanonisches Lächeln

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+

Isomere SMILES

CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)O

Molekulargewicht

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
    • Klasse Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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