STF 118804 - ≥98%(HPLC) , CAS No.894187-61-2

CAS: 894187-61-2 Cat. No.: S287747 Formula: C₂₅H₂₃N₃O₄S Peso molecolare: 461.53 PubChem CID: 20916937

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)benzamide | 4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide | 4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)-benz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)benzamide | 4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide | 4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)-benz

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

NAMPT inhibitor (nicotinamide phosphoribosyltransferase, visfatin, PBEF1); inhibits NAD+synthesis from nicotinamide. Potently inhibits the viability of multiple B-cell acute lymphoplastic leukemia (B-ALL) cell lines (IC50< 10 nM); induces apoptosis in MF-

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 488199838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199838
• Sorrisi canonici: CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C
• IUPAC Name: 4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
• InChIKey: DLFCEZOMHBPDGI-UHFFFAOYSA-N
• INCHI: 1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)
• Isomeri SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C
• PubChem CID: 20916937
• Peso molecolare: 461.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Benzamides Benzoyl derivatives 2,4,5-trisubstituted oxazoles Pyridines and derivatives Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Tosyl compound - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-oxazole - Benzoyl - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl 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

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K562 (73714 Activities)

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BJ (6930 Activities)

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MDA-MB-231 (73002 Activities)

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KOPN-8 (317 Activities)

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SUM149PT (97 Activities)

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SUP-B15 (167 Activities)

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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SARS-CoV-2 (38078 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 46.15, Max Conc. mM: 100
• Peso molecolare: 461.500 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 461.141 Da
• Monoisotopic Mass: 461.141 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 739.000
• 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

Domande frequenti

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

The CAS Number is 894187-61-2, the molecular formula is C25H23N3O4S, and the molecular weight is 461.53 g/mol. InChIKey DLFCEZOMHBPDGI-UHFFFAOYSA-N.

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.

How should this product be stored?

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

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

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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.