GSK 4716 - Moligand™, ≥98% , Agonist of Estrogen-related receptor-γ, CAS No.101574-65-6, Agonist of Estrogen-related receptor-γ

CAS: 101574-65-6 Cat. No.: G274953 Molecular Weight: 282.34 EC Number: 682-923-4

GRADE & PURITY Moligand™, ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

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

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

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

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™

Action Type

AGONIST

Mechanism of action

Agonist of Estrogen-related receptor-γ

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504763642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763642
• Canonical Smiles: 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+
• Isomeric SMILES: CC(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)O
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM and in ethanol to 100 mM
• Molecular Weight: 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