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DY131 - 10mM in DMSO, high purity , CAS No.95167-41-2, Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ
Agonist selective for estrogen-related receptors ERRβ and ERRγ
Basic Description
Synonyms
DY131 | 95167-41-2 | Benzoic acid, p-hydroxy-, (p-(diethylamino)benzylidene)hydrazide | DY 131 | GSK 9089 | GSK-9089 | 5VWV92039E | C18H21N3O2 | (E)-DY131 | Benzoic acid, 4-hydroxy-, ((4-(diethylamino)phenyl)methylene)hydrazide | Benzoic acid, 4-hydroxy-, 2-((4-(diethylamino
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Novel selective agonist at estrogen-related receptors ERRβand ERRγ. Displays minimal activity at ERRα, ERαand ERβat concentrations up to 30μM.
Storage Temp
Store at -80°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-β;Agonist of Estrogen-related receptor-γ
Product Description
DY131(GSK 9089) is a novel selective agonist of ERRβ and ERRγ; displays minimal activity at ERRα, ERα and ERβ at concentrations up to 30 μM.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids and derivatives
Alternative Parents
Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Amino acids and derivatives Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
INCHI
InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
InChIKey
WLKOCYWYAWBGKY-CPNJWEJPSA-N
Smiles
CCN(CC)C1=CC=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)O
Isomeric SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)O
Molecular Weight
311.38
Reaxy-Rn
2765110
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2765110&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.57
Molecular Weight
311.400 g/mol
XLogP3
3.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
311.163 Da
Monoisotopic Mass
311.163 Da
Topological Polar Surface Area
64.900 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
380.000
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
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