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

CAS: 1257256-44-2 Cat. No.: T288050 Summenformel: C₁₅H₁₁ClN₄O₃ Molekulargewicht: 330.73 PubChem CID: 49857866

QUALITÄT & REINHEIT ≥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

Übersicht

Product description：

GSK-3β inhibitor

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

528767364

Kanonisches Lächeln

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)

Isomere SMILES

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

PubChem CID

49857866

Molekulargewicht

330.73

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 3.31, Max Conc. mM: 10 with gentle warming
• Molekulargewicht: 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