TRAM 39 - ≥99%(HPLC) , CAS No.197525-99-8

CAS: 197525-99-8 Cat. No.: T287027 Peso molecular: 303.78 PubChem CID: 9861261

GRADE & PURITY ≥99%(HPLC)

Synonyms

2-Chloro-α,α-diphenylbenzeneacetonitrile | 2-(2-chlorophenyl)-2,2-diphenylacetonitrile

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Chloro-α, α-diphenylbenzeneacetonitrile | 2-(2-chlorophenyl)-2, 2-diphenylacetonitrile

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent intermediate conductance Ca2+-activated K+channel (KCa3.1) blocker (Kd= 60 nM). Has no effect on cytochrome p450 activity. InhibitsI-EBIO-stimulated increases in rat artery membrane potentialex vivo. Also diminishes LPS-induced cryptidin (mammalian

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764999
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764999
• Sonrisas canónicas: C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3Cl
• IUPAC Name: 2-(2-chlorophenyl)-2,2-diphenylacetonitrile
• InChIKey: JHNRTPKGSCVKKC-UHFFFAOYSA-N
• INCHI: 1S/C20H14ClN/c21-19-14-8-7-13-18(19)20(15-22,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H
• Isómeros SMILES: C1=CC=C(C=C1)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3Cl
• PubChem CID: 9861261
• Peso molecular: 303.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Diphenylacetonitriles Chlorobenzenes Aryl chlorides Nitriles Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Diphenylacetonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carbonitrile - Nitrile - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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.

DOI: 10.1186/s13321-016-0174-y

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

NIH3T3 (5395 Activities)

Explore this target

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: Solvent:DMSO, Max Conc. mg/mL: 15.44, Max Conc. mM: 50
• Peso molecular: 303.800 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 303.081 Da
• Monoisotopic Mass: 303.081 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 379.000
• 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