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JNJ-42165279 - 10mM in DMSO, high purity , CAS No.1346528-50-4, Inhibitor of Fatty acid amide hydrolase
Basic Description
Synonyms
JNJ-42165279 | 1346528-50-4 | N-(4-Chloropyridin-3-yl)-4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)piperazine-1-carboxamide | JNJ42165279 | AH2E5UQ11Y | N-(4-chloropyridin-3-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide | 1-Piperazinec
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
JNJ-42165279 (JNJ-5279) is an inhibitor of fatty acid amide hydrolase (FAAH) that inhibits recombinant human and rat FAAH with IC50 of 70 nM and 313 nM, respectively.
Storage Temp
Protected from light,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 Fatty acid amide hydrolase
Product Description
Information
JNJ-42165279 JNJ-42165279 (JNJ-5279) is an inhibitor of fatty acid amide hydrolase (FAAH) that inhibits recombinant human and rat FAAH with IC50 of 70 nM and 313 nM, respectively.
Targets
recombinant human FAAH (Cell-free assay); recombinant rat FAAH (Cell-free assay) 70 nM; 313 nM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Piperazine carboxamides N-alkylpiperazines Aralkylamines Pyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Piperazine-1-carboxamide - Benzodioxole - Aralkylamine - N-alkylpiperazine - Benzenoid - Pyridine - Piperazine - 1,4-diazinane - Aryl halide - Aryl chloride - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
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.
Product Properties
ALogP
4.009
hba_count
4
HBD Count
1
Rotatable Bond
3
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-(4-chloropyridin-3-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]piperazine-1-carboxamide
INCHI
InChI=1S/C18H17ClF2N4O3/c19-13-3-4-22-10-14(13)23-17(26)25-7-5-24(6-8-25)11-12-1-2-15-16(9-12)28-18(20,21)27-15/h1-4,9-10H,5-8,11H2,(H,23,26)
InChIKey
YWGYNGCRVZLMCS-UHFFFAOYSA-N
Smiles
C1CN(CCN1CC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4=C(C=CN=C4)Cl
Isomeric SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OC(O3)(F)F)C(=O)NC4=C(C=CN=C4)Cl
Alternate CAS
1346528-50-4
MeSH Entry Terms
1-piperazinecarboxamide, N-(4-chloro-3-pyridinyl)-4-((2,2-difluoro-1,3-benzodioxol-5-yl)methyl)-;JNJ-42165279;N-(4-chloro-3-pyridinyl)-4-((2,2-difluoro-1,3-benzodioxol-5-yl)methyl)-1-piperazinecarboxamide
Molecular Weight
410.8
Reaxy-Rn
21953987
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21953987&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
light sensitive
DMSO(mg / mL) Max Solubility
82
DMSO(mM) Max Solubility
199.610516066212
Water(mg / mL) Max Solubility
＜1
Molecular Weight
410.800 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
3
Exact Mass
410.096 Da
Monoisotopic Mass
410.096 Da
Topological Polar Surface Area
66.900 Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
565.000
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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