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

CAS: 4936-47-4 Cat. No.: N125206 Fórmula: C₁₀H₁₁N₃O₅S Peso molecular: 285.28 Número CE: 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

Visão geral

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

Sinónimos

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

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Grau

Moligand™

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

528774004

Sorrisos canónicos

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+

SMILES isoméricas

CSCC1CN(C(=O)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-]

Peso molecular

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
    • Classe Furans
      • Subclass Nitrofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

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

Alvos associados (não 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMF, ethyl acetate (sparingly), acetone (sparingly), and methanol (sparingly). Insoluble in water.
• Sensibilidade: Heat Sensitive
• Ponto de fusão (°C): 188 °C(dec.)
• Peso molecular: 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