KEA1-97 - 10mM in DMSO , CAS No.2138882-71-8

CAS: 2138882-71-8 Cat. No.: K580428 Formule: C₁₅H₉Cl₂FN₄ Poids moléculaire: 335.16

GRADE & PURITY 10mM in DMSO

Synonyms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ACTIVATOR

Noms et identifiants

• Sourires canoniques: 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)
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO: 2 mg/mL, clear
• Sensibilité: light sensitive
• Poids moléculaire: 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

Foire aux questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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.