TC-G 24 - ≥98%(HPLC) , CAS No.1257256-44-2

CAS: 1257256-44-2 Cat. No.: T288050 Fórmula: C₁₅H₁₁ClN₄O₃ Peso molecular: 330.73 PubChem CID: 49857866

GRAU & PUREZA ≥98%(HPLC)

Synonyms

N-(3-Chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine | (E)-3-chloro-4-methyl-N-(5-(4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-ylidene)aniline

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product description：

GSK-3β inhibitor

Especificações

Sinónimos

N-(3-Chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine | (E)-3-chloro-4-methyl-N-(5-(4-nitrophenyl)-1,3,4-oxadiazol-2(3H)-ylidene)aniline

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent GSK-3βinhibitor (IC50= 17 nM); displays selectivity for GSK-3βover CDK2 (22% inhibition at 10μM). Increases liver glycogen reserves in rodents. Brain penetrant.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

528767364

Sorrisos canónicos

CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

IUPAC Name

N-(3-chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

InChIKey

JYCNWQGNEJYDQS-UHFFFAOYSA-N

INCHI

1S/C15H11ClN4O3/c1-9-2-5-11(8-13(9)16)17-15-19-18-14(23-15)10-3-6-12(7-4-10)20(21)22/h2-8H,1H3,(H,17,19)

SMILES isoméricas

CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

PubChem CID

49857866

Peso molecular

330.73

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Aniline and substituted anilines Nitroaromatic compounds Toluenes Chlorobenzenes Aryl chlorides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Organic zwitterions Organic oxides Organooxygen compounds Organic salts
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Oxacycle - Azacycle - Organic oxoazanium - Organic zwitterion - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Alvos associados (humanos)

GSK3B Tclin Glycogen synthase kinase-3 beta (1 Activities)

Discover Target: GSK3B

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 3.31, Max Conc. mM: 10 with gentle warming
• Peso molecular: 330.720 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 330.052 Da
• Monoisotopic Mass: 330.052 Da
• Topological Polar Surface Area: 96.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 414.000
• 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