AT7867 - ≥98% , CAS No.857531-00-1

CAS: 857531-00-1 Cat. No.: A126209 Molecular Weight: 337.86

GRADE & PURITY ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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.
A potent ATP-competitive inhibitor of Akt1, Akt2 and Akt3

Specifications

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

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
• IUPAC Name: 4-(4-chlorophenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
• InChIKey: LZMOSYUFVYJEPY-UHFFFAOYSA-N
• 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)
• Isomeric SMILES: C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
• Alternate CAS: 1431697-86-7
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AKT2 Tchem Serine/threonine-protein kinase AKT2 (4301 Activities)

Discover Target: AKT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ROCK2 Tclin Rho-associated protein kinase 2 (6206 Activities)

Discover Target: ROCK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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