BTdCPU - ≥97% , CAS No.1257423-87-2

CAS: 1257423-87-2 Cat. No.: B412113 分子式: C₁₃H₈Cl₂N₄OS 分子量: 339.2

グレード＆純度 ≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

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

仕様

仕様と純度

≥97%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

純度

≥97%

名前と識別子

パブケム・シド

528763531

カノニカル・スマイル

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)

異性体SMILES

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

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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