BTdCPU - ≥97% , CAS No.1257423-87-2

CAS: 1257423-87-2 Cat. No.: B412113 Fórmula: C₁₃H₈Cl₂N₄OS Peso molecular: 339.2

CALIDAD & PUREZA ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

BTdCPU is a potent heme-regulated eIF2α kinase (HRI) activator and promotes eIF2α phosphorylation. BTdCPU induces apoptosis in resistant cell.

Especificaciones

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

BTdCPU is a potent heme-regulated eIF2α kinase (HRI) activator and promotes eIF2α phosphorylation. BTdCPU induces apoptosis in resistant cell.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Tipo de acción

ACTIVATOR

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

528763531

Sonrisas canónicas

C1=CC2=C(C=C1NC(=O)NC3=CC(=C(C=C3)Cl)Cl)SN=N2

IUPAC Name

1-(1,2,3-benzothiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea

InChIKey

NUUSUAWULNXMGF-UHFFFAOYSA-N

INCHI

1S/C13H8Cl2N4OS/c14-9-3-1-7(5-10(9)15)16-13(20)17-8-2-4-11-12(6-8)21-19-18-11/h1-6H,(H2,16,17,20)

Isómeros SMILES

C1=CC2=C(C=C1NC(=O)NC3=CC(=C(C=C3)Cl)Cl)SN=N2

Peso molecular

339.2

Reaxy-Rn

26426552

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26426552&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Benzothiadiazoles Dichlorobenzenes Aryl chlorides Thiadiazoles Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-phenylurea - 1,2,3-benzothiadiazole - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Thiadiazole - Urea - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 339.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 337.98 Da
• Monoisotopic Mass: 337.98 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 389.000
• 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