TCS 2002 - ≥99%(HPLC) , CAS No.1005201-24-0

CAS: 1005201-24-0 Cat. No.: T288676 Formule: C₁₈H₁₄N₂O₃S Poids moléculaire: 338.38 PubChem CID: 24855958

GRADE & PURITY ≥99%(HPLC)

Synonyms

1,3,4-Oxadiazole, 2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]- | 2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole | 1005201-24-0 | 1,3,4-oxadiazole,2-methyl-5-(3-(4-(methylsulfinyl)phenyl)-5-benzofuranyl)- | J-000155

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

1,3,4-Oxadiazole, 2-methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]- | 2-Methyl-5-[3-[4-(methylsulfinyl)phenyl]-5-benzofuranyl]-1,3,4-oxadiazole | 1005201-24-0 | 1,3,4-oxadiazole,2-methyl-5-(3-(4-(methylsulfinyl)phenyl)-5-benzofuranyl)- | J-000155

Spécifications et pureté

≥99%(HPLC)

Mécanismes biochimiques et physiologiques

Potent inhibitor of GSK-3β(IC50= 35 nM). Oral adminstration inhibits cold water stress-induced tau hyperphosphorylation in the mouse brain.

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%(HPLC)

Noms et identifiants

• Sourires canoniques: CC1=NN=C(O1)C2=CC3=C(C=C2)OC=C3C4=CC=C(C=C4)S(=O)C
• IUPAC Name: 2-methyl-5-[3-(4-methylsulfinylphenyl)-1-benzofuran-5-yl]-1,3,4-oxadiazole
• InChIKey: RCKYSTKYIVULEK-UHFFFAOYSA-N
• INCHI: 1S/C18H14N2O3S/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3
• Isomères SMILES: CC1=NN=C(O1)C2=CC3=C(C=C2)OC=C3C4=CC=C(C=C4)S(=O)C
• PubChem CID: 24855958
• Poids moléculaire: 338.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzofurans
      • Subclass Phenylbenzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzofurans
• Subclass: Phenylbenzofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzofurans
• Alternative Parents: Phenyl sulfoxides Heteroaromatic compounds Furans 1,3,4-oxadiazoles Sulfoxides Sulfinyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzofuran - Phenyl sulfoxide - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Furan - Heteroaromatic compound - Oxadiazole - Sulfoxide - Azacycle - Oxacycle - Sulfinyl compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylbenzofurans. These are organic aromatic compounds that contain a phenyl group attached to a benzofuran moiety. Benzofuran is a bicyclic compound containing a benzene fused to a furan.
• 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 33.84, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.46, Max Conc. mM: 25
• Poids moléculaire: 338.400 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 338.073 Da
• Monoisotopic Mass: 338.073 Da
• Topological Polar Surface Area: 88.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 469.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1005201-24-0, the molecular formula is C??H??N?O?S, and the molecular weight is 338.38 g/mol. InChIKey RCKYSTKYIVULEK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.