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AT7867 - ≥98%, high purity , CAS No.857531-00-1
Basic Description
Synonyms
4-(4-(1H-pyrazol-4-yl)phenyl)-4-(4-chlorophenyl)piperidine | BDBM16219 | CHEBI:82708 | FT-0746989 | PS-3255 | SCHEMBL1977655 | EX-8670 | HMS3655A05 | NSC 61876 | SW219380-1 | J-513483 | A24956 | DTXSID00457772 | BP-12616 | NCGC00346549-06 | DB07859 | Q270
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
AT7867 is a potent and oral AKT and p70 S6 kinase inhibitor with an IC50 of 17 nM.
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
AT7867 is a potent ATP-competitive inhibitor of Akt1/2/3 and p70S6K/PKA with IC50 of 32 nM/17 nM/47 nM and 85 nM/20 nM, respectively; little activity outside the AGC kinase family.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylmethanes
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylmethanes
Alternative Parents
Phenylpiperidines Phenylpyrazoles Chlorobenzenes Aralkylamines Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diphenylmethane - Phenylpiperidine - Phenylpyrazole - Chlorobenzene - Halobenzene - Aralkylamine - Piperidine - Aryl chloride - Aryl halide - Pyrazole - Heteroaromatic compound - Azole - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors
piperidines - pyrazoles - monochlorobenzenes
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
4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
INCHI
InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)
InChIKey
LZMOSYUFVYJEPY-UHFFFAOYSA-N
Smiles
C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
Isomeric SMILES
C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
Molecular Weight
337.86
Reaxy-Rn
11072816
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11072816&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO ≥66mg/mL Water <1.2mg/mL Ethanol ≥4.6mg/mL
Boil Point(°C)
530.2 °C/760 mmHg
Molecular Weight
337.800 g/mol
XLogP3
4.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
337.135 Da
Monoisotopic Mass
337.135 Da
Topological Polar Surface Area
40.700 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
394.000
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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A1819037