NS 5806 - ≥99%(HPLC) , CAS No.426834-69-7

CAS: 426834-69-7 Cat. No.: N287207 Fórmula: C₁₆H₈Br₂F₆N₆O Peso molecular: 574.07 Número EC: 684-457-7

GRADE & PURITY ≥99%(HPLC)

Synonyms

CCG-221844 | BCP33045 | NS 5806; NS5806 | DTXSID30469888 | MolPort-023-277-083 | NCGC00371032-03 | NS5806, >=98% (HPLC) | EX-A7052 | NS 5806 | NS5806 | NS-5806 | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea | MS-30341

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

CCG-221844 | BCP33045 | NS 5806; NS5806 | DTXSID30469888 | MolPort-023-277-083 | NCGC00371032-03 | NS5806, >=98% (HPLC) | EX-A7052 | NS 5806 | NS5806 | NS-5806 | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea | MS-30341

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Activador del canal KV4.3; media la corriente transitoria de K+ (Ito). Aumenta la amplitud de la corriente pico IKv4.3 en células CHO-K1 que expresan KV4.3 y KChIP2 (EC50= 5,3μM). Inhibe las corrientes mediadas por KV1.4 independientemente de KChIP2. Tamb

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

ACTIVATOR

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=C(C=C2Br)Br)C3=NNN=N3)C(F)(F)F
• IUPAC Name: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea
• InChIKey: UZWJWROOLOOCPQ-UHFFFAOYSA-N
• INCHI: 1S/C16H8Br2F6N6O/c17-8-4-10(13-27-29-30-28-13)12(11(18)5-8)26-14(31)25-9-2-6(15(19,20)21)1-7(3-9)16(22,23)24/h1-5H,(H2,25,26,31)(H,27,28,29,30)
• Isómeros SMILES: C1=C(C=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=C(C=C2Br)Br)C3=NNN=N3)C(F)(F)F
• Peso molecular: 574.07
• Reaxy-Rn: 37982961
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37982961&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Trifluoromethylbenzenes N-phenylureas Bromobenzenes Aryl bromides Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Trifluoromethylbenzene - N-phenylurea - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Urea - Azacycle - Organofluoride - Organobromide - Organohalogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
• 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

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: 57.41, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 28.7, Max Conc. mM: 50
• Peso molecular: 574.070 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 573.901 Da
• Monoisotopic Mass: 571.903 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 619.000
• 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

Preguntas frecuentes

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 426834-69-7, the molecular formula is C16H8Br2F6N6O, and the molecular weight is 574.07 g/mol. InChIKey UZWJWROOLOOCPQ-UHFFFAOYSA-N.

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.