KEA1-97 - ≥98% , CAS No.2138882-71-8

CAS: 2138882-71-8 Cat. No.: K419997 Fórmula: C₁₅H₉Cl₂FN₄ Peso molecular: 335.16

CALIDAD & PUREZA ≥98%

Synonyms

4,6-Dichloro-N-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-amine

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Especificaciones

Sinónimos

4,6-Dichloro-N-(4′-fluoro-[1,1′-biphenyl]-4-yl)-1,3,5-triazin-2-amine

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

KEA1-97 is a Thioredoxin-Caspase 3 interaction disruptor. It was found to target lysine 72 of thioredoxin, inhibiting its interactions with caspase 3 and inducing apoptosis without affecting other thioredoxin activity. KEA1-97 induced apoptosis in breast

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

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

Tipo de acción

ACTIVATOR

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504773208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773208

Sonrisas canónicas

C1=CC(=CC=C1C2=CC=C(C=C2)F)NC3=NC(=NC(=N3)Cl)Cl

IUPAC Name

4,6-dichloro-N-[4-(4-fluorophenyl)phenyl]-1,3,5-triazin-2-amine

InChIKey

DUROVTLUQOYUPH-UHFFFAOYSA-N

INCHI

1S/C15H9Cl2FN4/c16-13-20-14(17)22-15(21-13)19-12-7-3-10(4-8-12)9-1-5-11(18)6-2-9/h1-8H,(H,19,20,21,22)

Peso molecular

335.16

Reaxy-Rn

36433111

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36433111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aniline and substituted anilines Fluorobenzenes Chloro-s-triazines Aminotriazines Aryl fluorides Aryl chlorides Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Aniline or substituted anilines - Chloro-s-triazine - Halo-s-triazine - Halobenzene - Fluorobenzene - Aminotriazine - Amino-1,3,5-triazine - 1,3,5-triazine - Triazine - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO: 2 mg/mL, clear
• Sensibilidad: light sensitive
• Peso molecular: 335.200 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 334.019 Da
• Monoisotopic Mass: 334.019 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 336.000
• 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 is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2138882-71-8, the molecular formula is C15H9Cl2FN4, and the molecular weight is 335.16 g/mol. InChIKey DUROVTLUQOYUPH-UHFFFAOYSA-N.

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.