SKL2001 - 10mM in DMSO , CAS No.909089-13-0

CAS: 909089-13-0 Cat. No.: S426863 Fórmula: C₁₄H₁₄N₄O₃ Peso molecular: 286.29 PubChem CID: 16003447

GRAU & PUREZA 10mM in DMSO

Synonyms

3-​Isoxazolecarboxamide​,5-​(2-​furanyl)​-​N-​[3-​(1H-​imidazol-​1-​yl)​propyl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

SKL2001 SKL2001 is a novel agonist of the Wnt/β-catenin pathway . It disrupts the Axin/β-catenin interaction.

Targets

Wnt/β-catenin (Cell-free assay)

In vitro

SKL2001 upregulated β-catenin responsive transcription by increasing the intracellular β-catenin protein level and inhibited the phosphorylation of β-catenin at residues Ser33/37/Thr41 and Ser45, which would mark it for proteasomal degradation, without affecting CK1 and GSK-3β enzyme activities. SKL2001 disrupted the Axin/β-catenin interaction, which is a critical step for CK1- and GSK-3β-mediated phosphorylation of β-catenin at Ser33/37/Thr41 and Ser45. The treatment of mesenchymal stem cells with SKL2001 promoted osteoblastogenesis and suppressed adipocyte differentiation, both of which were accompanied by the activation of Wnt/β-catenin pathway. SKL2001 did not affect either NF-κB or p53 reporter activity and inhibits β-catenin phosphorylation without affecting GSK-3β activity.

Cell Research(from reference)

Cell lines：HEK293 reporter and control cell lines 

Concentrations：20 μM 

Incubation Time：15 h 

Especificações

Sinónimos

3-​Isoxazolecarboxamide​,5-​(2-​furanyl)​-​N-​[3-​(1H-​imidazol-​1-​yl)​propyl]​-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

SKL2001 is a novel agonist of the Wnt/β-catenin pathway. It disrupts the Axin/β-catenin interaction.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Propriedades do produto

ALogP

0.929

Contagem HBD

1

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

528767116

Sorrisos canónicos

C1=COC(=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3

IUPAC Name

5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide

InChIKey

PQXINDBPUDNMPE-UHFFFAOYSA-N

INCHI

1S/C14H14N4O3/c19-14(16-4-2-6-18-7-5-15-10-18)11-9-13(21-17-11)12-3-1-8-20-12/h1,3,5,7-10H,2,4,6H2,(H,16,19)

SMILES isoméricas

C1=COC(=C1)C2=CC(=NO2)C(=O)NCCCN3C=CN=C3

PubChem CID

16003447

Peso molecular

286.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 2-heteroaryl carboxamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: 2-heteroaryl carboxamides
• Alternative Parents: N-substituted imidazoles Isoxazoles Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - N-substituted imidazole - Azole - Furan - Imidazole - Isoxazole - Heteroaromatic compound - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide 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

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 57
• DMSO (mM) Solubilidade máxima: 199.0988159
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 286.290 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 286.107 Da
• Monoisotopic Mass: 286.107 Da
• Topological Polar Surface Area: 86.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 355.000
• 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