Riamilovir - Moligand™, ≥98% , CAS No.123606-06-4

CAS: 123606-06-4 Cat. No.: R413018 Summenformel: C₅H₄N₆O₃S Molekulargewicht: 228.19 PubChem CID: 3113817

GRADE & PURITY Moligand™, ≥98%

Synonyms

7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one | F2HTG1MH2D | F81714 | Oprea1_193144 | Oprea1_478576 | Triazavirin | Riamilovir [INN] | RIAMILOVIR [WHO-DD] | UNII-F2HTG1MH2D | 4(1H)-one | 7-(Methylthio)-3-nitro(1,2,4)triazolo(5,1-C

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Riamilovir (Triazavirin) is a broad-spectrum antiviral drug candidate.

Specifications

Synonyme

7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one | F2HTG1MH2D | F81714 | Oprea1_193144 | Oprea1_478576 | Triazavirin | Riamilovir [INN] | RIAMILOVIR [WHO-DD] | UNII-F2HTG1MH2D | 4(1H)-one | 7-(Methylthio)-3-nitro(1,2,4)triazolo(5,1-C

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Riamilovir (Triazavirin) is a broad-spectrum antiviral drug candidate.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528766953
• Kanonisches Lächeln: CSC1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-]
• IUPAC Name: 7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one
• InChIKey: IDVQGNMSSHPZSJ-UHFFFAOYSA-N
• INCHI: 1S/C5H4N6O3S/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5/h1H3,(H,6,8,9)
• Isomere SMILES: CSC1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-]
• Alternative CAS-Nummer: 123606-06-4
• PubChem CID: 3113817
• MeSH-Eintrag: 7-(methylthio)-3-nitro(1,2,4)triazolo(5,1-C)(1,2,4)triazin-4(6H)-one;7-(methylthio)-3-nitro-(1,2,4)triazolo(5,1-C)(1,2,4)triazin-4(6H)-one sodium salt;7-(methylthio)-3-nitro-(1,2,4)triazolo(5,1-C)(1,2,4)triazin-4(6H)-one sodium salt, hydrate;riamilovir;ri
• Molekulargewicht: 228.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Klasse Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Nitroaromatic compounds Alkylarylthioethers 1,2,4-triazines Imidolactams Triazoles Heteroaromatic compounds Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Triazine - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - 1,2,4-triazole - Azole - C-nitro compound - Organic nitro compound - Lactam - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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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HEK-293T (167025 Activities)

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MDCK (10148 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 228.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 228.007 Da
• Monoisotopic Mass: 228.007 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 435.000
• 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