PD-118057 - Moligand™, ≥97% , Activator of K v11.1, CAS No.313674-97-4, Activator of K v11.1

CAS: 313674-97-4 Cat. No.: P286627 Fórmula: C₂₁H₁₇Cl₂NO₂ Peso molecular: 386.27 Número EC: 636-537-8 PubChem CID: 9864959

GRADE & PURITY Moligand™, ≥97%

Synonyms

ácido 2-[[4-[2-(3,4-diclorofenil)etil]fenil]amino]benzoico

Storage

Protegido de la luz,Almacenar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

El PD-118057 es un potente activador del canal de potasio asociado al éter (hERG) que no muestra actividad contra el hERG. El PD-118057 inhibe la excitabilidad de la membrana mediante la activación del canal hERG. PD-118057 es un compuesto potencial para el tratamiento de la repolarización retardada en el síndrome de QT largo hereditario o adquirido y la insuficiencia cardíaca congestiva.

PD-118057 (3 μM y 10 μM) aumenta específicamente la corriente hERG e inhibe la duración del potencial de acción en el músculo ventricular de cobaya en el aislamiento agudo de cardiomiocitos de cobaya.PD-118057 (10 μM) contrarresta la inhibición de la corriente desencadenada por Dof y Mox preservando al mismo tiempo la forma de "joroba" inalterada de la corriente IKr y mostrando sólo un aumento marginal en el valor máximo de la corriente suprimida.

Specifications

Sinónimos

ácido 2-[[4-[2-(3,4-diclorofenil)etil]fenil]amino]benzoico

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Protegido de la luz,Almacenar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Activator of K v11.1

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 528766549
• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl
• IUPAC Name: 2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid
• InChIKey: ZCQOSCDABPVAFB-UHFFFAOYSA-N
• INCHI: 1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl
• WGK Alemania: 3
• PubChem CID: 9864959
• Peso molecular: 386.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Aminobenzoic acids Benzoic acids Dichlorobenzenes Benzoyl derivatives Aniline and substituted anilines Primary aromatic amines Aryl chlorides Vinylogous amides Amino acids Secondary amines Carboxylic acids Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Primary aromatic amine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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 (humanos)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (0 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

POLK Tbio DNA polymerase kappa (8653 Activities)

Discover Target: POLK

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

Discover Target: RECQL

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Mus musculus (284745 Activities)

Explore this target

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

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

KCNK2 Potassium channel subfamily K member 2 (9 Activities)

Discover Target: KCNK2

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

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

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: 38.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.73, Max Conc. mM: 20
• Sensibilidad: Light sensitive；Heat sensitive
• Peso molecular: 386.300 g/mol
• XLogP3: 7.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 385.064 Da
• Monoisotopic Mass: 385.064 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 453.000
• 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