WP1066 - Moligand™, ≥98% , Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3, CAS No.857064-38-1, Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3

CAS: 857064-38-1 Cat. No.: W129459 Fórmula: C₁₇H₁₄BrN₃O Peso molecular: 356.22 Número EC: 632-919-3 PubChem CID: 11210478

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS016007983 | AC-28413 | GTPL7972 | MFCD00445901 | 63V8AIE65T | BDBM50557738 | MLS006010178 | SCHEMBL1315831 | STK888392 | Q27089227 | UNII-63V8AIE65T | (S,E)-3-(6-Bromopiridin-2-il)-2-ciano-N-(1-feniletil)acrilamida | 1-(3-fenil-2-propenoil)-piperida

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Descripción general

WP1066 es un nuevo inhibidor de JAK2 y STAT3 con IC50 de 2,30 μM y 2,43 μM en células HEL; muestra actividad frente a JAK2, STAT3, STAT5 y ERK1/2 no frente a JAK1 y JAK3.
Inhibidor permeable a las células de la proteína tirosina cinasa Stat3 y JAK2.

Specifications

Sinónimos

AKOS016007983 | AC-28413 | GTPL7972 | MFCD00445901 | 63V8AIE65T | BDBM50557738 | MLS006010178 | SCHEMBL1315831 | STK888392 | Q27089227 | UNII-63V8AIE65T | (S,E)-3-(6-Bromopiridin-2-il)-2-ciano-N-(1-feniletil)acrilamida | 1-(3-fenil-2-propenoil)-piperida

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

WP1066 (WP10666) es un análogo de la tirfostina AG 490 permeable a las células que inhibe eficazmente la vía STAT3. El inhibidor es un potente agente antitumoral, como demuestra la inhibición del crecimiento de células de glioma maligno y células de leuce

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Grado

Moligand™

Tipo de acción

CHANNEL BLOCKER, INHIBITOR

Mecanismo de acción

Channel blocker of K v1.3;Inhibitor of signal transducer and activator of transcription 3

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488197282

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197282

Sonrisas canónicas

CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N

IUPAC Name

(E)-3-(6-bromopyridin-2-yl)-2-cyano-N-[(1S)-1-phenylethyl]prop-2-enamide

InChIKey

VFUAJMPDXIRPKO-LQELWAHVSA-N

INCHI

1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1

Isómeros SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N

PubChem CID

11210478

Peso molecular

356.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-halopyridines
• Alternative Parents: Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-halopyridine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
• 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)

STAT3 Tchem Signal transducer and activator of transcription 3 (0 Activities)

Discover Target: STAT3

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

KCNA3 Tclin Potassium voltage-gated channel subfamily A member 3 (0 Activities)

Discover Target: KCNA3

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

STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)

Discover Target: STAT3

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

U373 MG (658 Activities)

Explore this target

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

U-87 MG (3946 Activities)

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

HepG2 (196354 Activities)

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

HeLa (62764 Activities)

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

U-266 (527 Activities)

Explore this target

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

HEK-293T (167025 Activities)

Explore this target

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 72 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Peso molecular: 356.200 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 355.032 Da
• Monoisotopic Mass: 355.032 Da
• Topological Polar Surface Area: 65.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 462.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1