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GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98% Synonyms
612BYT76F3 | MS-25297 | JNJ-40411813; ADX-71149 | Tox21_300488 | UNII-612BYT76F3 | SCHEMBL1035416 | CVB49803 | 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one | ADX-71149ADX-71149 | EX-A2902 | JNJ-40411813; JNJ 40411813; ADX71149; ADX 71149; ADX-
Shipped In
Ice chest + Ice pads
Overview Information
JNJ-40411813 (ADX-71149) is a positive allosteric modulator (PAM) of the metabotropic Glutamate 2 receptor (mGlu2R) with EC50 of 147 nM.
Specifications Synonyms
612BYT76F3 | MS-25297 | JNJ-40411813; ADX-71149 | Tox21_300488 | UNII-612BYT76F3 | SCHEMBL1035416 | CVB49803 | 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one | ADX-71149ADX-71149 | EX-A2902 | JNJ-40411813; JNJ 40411813; ADX71149; ADX 71149; ADX-
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
JNJ-40411813 (ADX-71149) is a positive allosteric modulator (PAM) of the metabotropic Glutamate 2 receptor (mGlu2R) with EC50 of 147 nM.
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
ALLOSTERIC MODULATOR, POSITIVE ALLOSTERIC MODULATOR
Mechanism of action
Metabotropic glutamate receptor 2 positive allosteric modulator
Product Properties Names and Identifiers Canonical Smiles CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3 IUPAC Name 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one InChIKey HYOGJHCDLQSAHX-UHFFFAOYSA-N INCHI 1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3 Isomeric SMILES CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3 Molecular Weight 344.88 Reaxy-Rn 19071956 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19071956&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Piperidines Subclass Phenylpiperidines Intermediate Tree Nodes Not available Direct Parent Phenylpiperidines Alternative Parents Dialkylarylamines Pyridinones Dihydropyridines Aralkylamines Aminopyridines and derivatives Benzene and substituted derivatives Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylpiperidine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Dihydropyridine - Pyridinone - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Tertiary amine - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 344.900 g/mol XLogP3 4.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 344.166 Da Monoisotopic Mass 344.166 Da Topological Polar Surface Area 23.600 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 500.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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