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 CE: 636-537-8 PubChem CID: 9864959

GRADE & PURITY Moligand™, ≥97%

Synonyms

2-[[4-[2-(3,4-Dichlorophenyl)ethyl]phenyl]amino]benzoic acid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

PD-118057 is a potent ether associated (hERG) potassium channel activator that shows no activity against hERG. PD-118057 inhibits the excitability of the membrane by activating the hERG channel. PD-118057 is a potential compound for the treatment of delayed repolarization in inherited or acquired long QT syndrome and congestive heart failure.

PD-118057 (3 μM and 10 μM) specifically increases hERG current and inhibits action potential duration in guinea pig ventricular muscle in acute isolation of guinea pig cardiomyocytes.PD-118057 (10 μM) counteracts the current inhibition triggered by Dof and Mox while preserving the unaltered 'hump' shape of the IKr current and exhibiting only a marginal increase in the maximum value of the suppressed current.

Specifications

Sinónimos

2-[[4-[2-(3,4-Dichlorophenyl)ethyl]phenyl]amino]benzoic acid

Especificações e pureza

Moligand™, ≥97%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ACTIVATOR

Mecanismo de ação

Activator of K v11.1

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528766549
• Sorrisos canónicos: 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)
• SMILES isoméricas: C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl
• WGK Alemanha: 3
• PubChem CID: 9864959
• Peso molecular: 386.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrição: 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

Alvos associados (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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 38.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 7.73, Max Conc. mM: 20
• Sensibilidade: 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