JNJ-40411813 - Moligand™, ≥98% , Metabotropic glutamate receptor 2 positive allosteric modulator, CAS No.1127498-03-6, Metabotropic glutamate receptor 2 positive allosteric modulator

CAS: 1127498-03-6 Cat. No.: J413415 Molecular Weight: 344.88 EC Number: 667-673-6
AVAILABLE TO ORDER
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-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
J413415-10mg
2

$45.90

$68.90
Save $23.00 (33.38%)
25mg
J413415-25mg
2

$100.90

$151.90
Save $51.00 (33.57%)
50mg
J413415-50mg
2

$133.90

$200.90
Save $67.00 (33.35%)
100mg
J413415-100mg
1

$224.90

$337.90
Save $113.00 (33.44%)
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

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.
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
ALLOSTERIC MODULATOR, POSITIVE ALLOSTERIC MODULATOR
Mechanism of action
Metabotropic glutamate receptor 2 positive allosteric modulator
Purity
≥98%
Product Properties
ALogP4.6
Names and Identifiers
Canonical SmilesCCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3
IUPAC Name1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
InChIKeyHYOGJHCDLQSAHX-UHFFFAOYSA-N
INCHI1S/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.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassPiperidines
SubclassPhenylpiperidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpiperidines
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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
GRM2 Tchem Metabotropic glutamate receptor 2 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRM3 Tchem Metabotropic glutamate receptor 3 (732 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRM4 Tchem Metabotropic glutamate receptor 4 (2320 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRM6 Tchem Metabotropic glutamate receptor 6 (361 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRM1 Tchem Metabotropic glutamate receptor 1 (2309 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GRM5 Tchem Metabotropic glutamate receptor 5 (5733 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Grm2 Metabotropic glutamate receptor 2 (1326 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot NumberCertificate TypeDateItem
C2419311Certificate of AnalysisJan 27, 2024 J413415
C2419312Certificate of AnalysisJan 27, 2024 J413415
C2419313Certificate of AnalysisJan 27, 2024 J413415
C2419314Certificate of AnalysisJan 27, 2024 J413415
C2419315Certificate of AnalysisJan 27, 2024 J413415
C2419316Certificate of AnalysisJan 27, 2024 J413415
C2419317Certificate of AnalysisJan 27, 2024 J413415
C2419318Certificate of AnalysisJan 27, 2024 J413415
Chemical and Physical Properties
Molecular Weight344.900 g/mol
XLogP34.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass344.166 Da
Monoisotopic Mass344.166 Da
Topological Polar Surface Area23.600 Ų
Heavy Atom Count24
Formal Charge0
Complexity500.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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