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AGK2 - 10mM in DMSO, high purity , CAS No.304896-28-4, Inhibitor of sirtuin 2
Selective reversible cell-permeable sirtuin2 (SIRT2) inhibitor
Basic Description
Synonyms
AGK2 | 304896-28-4 | AGK-2 | AGK 2 | UNII-DDF0L8606A | DDF0L8606A | 2-Propenamide, 2-cyano-3-(5-(2,5-dichlorophenyl)-2-furanyl)-N-5-quinolinyl- | CHEMBL224864 | SIRT2 Inhibitor, AGK2 | 2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(quinolin-5-yl)acrylamide | 2-cyano-3-[5-(2
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Selective reversible cell-permeable sirtuin2 (SIRT2) inhibitor (IC 50 = 3.5 μM). Protects dopamine neurons from α-synuclein toxicity in vivo . Orally active.
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
INHIBITOR
Mechanism of action
Inhibitor of sirtuin 2
Product Description
Store at +4°C. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinolines and derivatives
Alternative Parents
N-arylamides Dichlorobenzenes Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinoline - 1,4-dichlorobenzene - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Furan - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
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
(E)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-5-ylprop-2-enamide
INCHI
InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+
InChIKey
SVENPFFEMUOOGK-SDNWHVSQSA-N
Smiles
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N
Isomeric SMILES
C1=CC2=C(C=CC=N2)C(=C1)NC(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)/C#N
Molecular Weight
434.27
Reaxy-Rn
20613840
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20613840&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat Sensitive；Moisture sensitive
Molecular Weight
434.300 g/mol
XLogP3
5.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
433.038 Da
Monoisotopic Mass
433.038 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
706.000
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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