STF 31 - ≥98% , CAS No.724741-75-7

CAS: 724741-75-7 Cat. No.: S287035 Fórmula: C₂₃H₂₅N₃O₃S Peso molecular: 423.53 Número EC: 809-820-0 PubChem CID: 984333

GRADE & PURITY ≥98%

Synonyms

EN300-191931 | NCGC00379139-04 | 4n9d | STF 31 | HMS3871F13 | HMS3750G03 | AC-30936 | BCP16022 | DTXSID70359693 | AKOS024458185 | SCHEMBL12078275 | BS-18012 | 4-((4-tert-butylphenylsulfonamido)methyl)-N-(pyridin-3-yl)benzamide | Q27453012 | STF-31, >=98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

STF-31 has been used in glucose transporter 1 (GLUT1) inhibition. 

Specifications

Sinónimos

EN300-191931 | NCGC00379139-04 | 4n9d | STF 31 | HMS3871F13 | HMS3750G03 | AC-30936 | BCP16022 | DTXSID70359693 | AKOS024458185 | SCHEMBL12078275 | BS-18012 | 4-((4-tert-butylphenylsulfonamido)methyl)-N-(pyridin-3-yl)benzamide | Q27453012 | STF-31, >=98%

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Inhibitor of GLUT1; inhibits glucose uptake in renal cell carcinoma (RCC) 4 cells. Activity causes necrotic cell death in von Hippel-Lindau (VHL)-deficient RCC cells. Also NAMPT inhibitor. Eliminates human pluripotent stem cells from culture with limited

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760355
• Sonrisas canónicas: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3
• IUPAC Name: 4-[[(4-tert-butylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
• InChIKey: NGQPRVWTFNBUHA-UHFFFAOYSA-N
• INCHI: 1S/C23H25N3O3S/c1-23(2,3)19-10-12-21(13-11-19)30(28,29)25-15-17-6-8-18(9-7-17)22(27)26-20-5-4-14-24-16-20/h4-14,16,25H,15H2,1-3H3,(H,26,27)
• Isómeros SMILES: CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)NC3=CN=CC=C3
• WGK Alemania: 3
• PubChem CID: 984333
• Peso molecular: 423.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Phenylpropanes Benzenesulfonyl compounds Benzamides Benzoyl derivatives Pyridines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenylpropane - Benzoyl - Organosulfonic acid amide - Pyridine - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Objetivos asociados (humanos)

NAMPT Tchem Nicotinamide phosphoribosyltransferase (2 Activities)

Discover Target: NAMPT

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

PC-3 (62116 Activities)

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

HCT-116 (91556 Activities)

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

HepG2 (196354 Activities)

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

A2780 (11979 Activities)

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

NAMPT Tchem Nicotinamide phosphoribosyltransferase (3221 Activities)

Discover Target: NAMPT

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

Objetivos asociados (no humanos)

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 42.35, Max Conc. mM: 100
• Peso molecular: 423.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 423.162 Da
• Monoisotopic Mass: 423.162 Da
• Topological Polar Surface Area: 96.500 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 652.000
• 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

Preguntas frecuentes

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

The CAS Number is 724741-75-7, the molecular formula is C23H25N3O3S, and the molecular weight is 423.53 g/mol. InChIKey NGQPRVWTFNBUHA-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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.