AT7867 - ≥98% , CAS No.857531-00-1

CAS: 857531-00-1 Cat. No.: A126209 Peso molecular: 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

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

AT7867 es un potente inhibidor ATP-competitivo de Akt1/2/3 y p70S6K/PKA con IC50 de 32 nM/17 nM/47 nM y 85 nM/20 nM, respectivamente; escasa actividad fuera de la familia de cinasas AGC.
Potente inhibidor competitivo con ATP de Akt1, Akt2 y Akt3

Specifications

Sinónimos

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

El AT7867 es un potente inhibidor oral de la AKT y la p70 S6 cinasa con un IC50 de 17 nM.

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
• CAS alternativo: 1431697-86-7
• Peso molecular: 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
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO ≥66mg/mL Water <1.2mg/mL Ethanol ≥4.6mg/mL
• Punto de ebullición (°C): 530.2 °C/760 mmHg
• Peso molecular: 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