Nifuratel - Moligand™, ≥99% , CAS No.4936-47-4

CAS: 4936-47-4 Cat. No.: N125206 Molecular Weight: 285.28 EC Number: 225-576-2

GRADE & PURITY Moligand™, ≥99%

Synonyms

NF 113 | Nifuratel (USAN) | UNII-U60U6P08SP | BRN 0842878 | Lisofylline [USAN:INN] | 3-((5-NITRO-2-FURFURYLIDENE)AMINO)-5-((METHYLTHIO)METHYL)-2-OXAZOLIDINONE | Acetylsulphapyridine | U60U6P08SP | Nifuratel [USAN:INN:BAN] | EINECS 225-576-2 | LS-13772 | 2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Nifuratel(NF 113, SAP 113) is a broad antibacterial spectrum agent, which is used as an antibacterial, antifungal, and antiprotozoal (Trichomonas).
An antibacterial, antifungal, and antiprotozoal compound.

Specifications

Synonyms

NF 113 | Nifuratel (USAN) | UNII-U60U6P08SP | BRN 0842878 | Lisofylline [USAN:INN] | 3-((5-NITRO-2-FURFURYLIDENE)AMINO)-5-((METHYLTHIO)METHYL)-2-OXAZOLIDINONE | Acetylsulphapyridine | U60U6P08SP | Nifuratel [USAN:INN:BAN] | EINECS 225-576-2 | LS-13772 | 2

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Soluble in DMF, ethyl acetate (sparingly), acetone (sparingly), and methanol (sparingly). Insoluble in water.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CSCC1CN(C(=O)O1)N=CC2=CC=C(O2)[N+](=O)[O-]
• IUPAC Name: 5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
• InChIKey: SRQKTCXJCCHINN-NYYWCZLTSA-N
• INCHI: 1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
• Isomeric SMILES: CSCC1CN(C(=O)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
• Molecular Weight: 285.28
• Reaxy-Rn: 842878
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=842878&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Nitrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Nitrofurans
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrofurans
• Alternative Parents: Nitroaromatic compounds Oxazolidinones Heteroaromatic compounds Organic carbonic acids and derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-nitrofuran - Oxazolidinone - Oxazolidine - Heteroaromatic compound - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Oxacycle - Azacycle - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro 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

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMF, ethyl acetate (sparingly), acetone (sparingly), and methanol (sparingly). Insoluble in water.
• Sensitivity: Heat Sensitive
• Melt Point(°C): 188 °C(dec.)
• Molecular Weight: 285.280 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 285.042 Da
• Monoisotopic Mass: 285.042 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 386.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Zhifeng Cai, Yanan Li, Jinghong Li, Ziyue Zhang, Tian Yang, Shuying Yang.  (2025)  Nitrogen-doped carbon quantum dots from pumpkin for the sensing of nifuratel and temperature.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:39837228] [10.1016/j.saa.2025.125758]