WAY-320049 - ≥98% , CAS No.298193-11-0

CAS: 298193-11-0 Cat. No.: W418065 Summenformel: C₁₃H₁₇NO₃S Molekulargewicht: 267.34398 PubChem CID: 766932

GRADE & PURITY ≥98%

Synonyms

1-[(2,4,6-trimethylphenyl)sulfonyl]pyrrolidin-2-one | 1-(Mesitylsulfonyl)pyrrolidin-2-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

modulate mitochondrial reactive oxygen species production; Mycobacterium tuberculosis shikimate kinase inhibitors;

Specifications

Synonyme

1-[(2,4,6-trimethylphenyl)sulfonyl]pyrrolidin-2-one | 1-(Mesitylsulfonyl)pyrrolidin-2-one

Spezifikationen & Reinheit

≥98%

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%

Produkteigenschaften

• ALogP: 2.445
• Rotationsfähige Bindung: 2

Namen und Kennungen

• Pubchem Sid: 504760116
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760116
• Kanonisches Lächeln: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2=O)C
• IUPAC Name: 1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-one
• InChIKey: UVXZHJFRFIKQMT-UHFFFAOYSA-N
• INCHI: 1S/C13H17NO3S/c1-9-7-10(2)13(11(3)8-9)18(16,17)14-6-4-5-12(14)15/h7-8H,4-6H2,1-3H3
• Isomere SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCC2=O)C
• PubChem CID: 766932
• Molekulargewicht: 267.34398

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Pyrrolidine-2-ones Sulfonyls Organosulfonic acids and derivatives Lactams Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

Zugehörige Ziele (nicht menschlich)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 267.350 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 267.093 Da
• Monoisotopic Mass: 267.093 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 18
• 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

Referenzen

1. Shanxin Li, Gaohui Nie, Xueyan Dai, Jiamei Zhu, Li Xiao, Sunan Wang, Jirong Chen, Jianrong Ren, Caiying Zhang.  (2025)  The crosstalk between fatty acid metabolism disorder and mitochondrial dysfunction is involved in hepatotoxicity co-induced by cadmium and molybdenum in ShaoXing duck (Anas platyrhyncha) livers.  POULTRY SCIENCE,      [PMID:41534291] [10.1016/j.psj.2025.106366]