BTdCPU - ≥97% , CAS No.1257423-87-2

CAS: 1257423-87-2 Cat. No.: B412113 Formula: C₁₃H₈Cl₂N₄OS Molecular Weight: 339.2

GRADE & PURITY ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

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

Specifications

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥97%

Names and Identifiers

Pubchem Sid

528763531

Canonical Smiles

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)

Isomeric SMILES

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

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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