Triazavirin - ≥98% , CAS No.928659-17-0

CAS: 928659-17-0 Cat. No.: T413661 分子式: C₅H₇N₆NaO₅S 分子量: 286.2 PubChem CID: 52947239

GRADE & PURITY ≥98%

Synonyms

D81614 | UNII-G1JE34QF2S | [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(6H)-one, 7-(methylthio)-3-nitro-, sodium salt, hydrate (1:1:2) | TRIAZAVIRINE | Sodium 2-methylthio-6-nitro-1,2,4-triazol [5,1c][1,2,3]-triazin-7-one dihydrate | (1,2,4)Triazolo(5,1-C)(1,2,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Triazavirin Triazavirin (TZV, Riamilovir) is a novel antiviral drug, a nucleoside analogue of nucleic acid that inhibits the synthesis of viral RNA and DNA and replication of genomic fragments. Triazavirin is active against influenza and a number of other viruses. Triazavirin is an effective protective agent on the transmission stage of influenza.

Specifications

同義語

D81614 | UNII-G1JE34QF2S | [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(6H)-one, 7-(methylthio)-3-nitro-, sodium salt, hydrate (1:1:2) | TRIAZAVIRINE | Sodium 2-methylthio-6-nitro-1,2,4-triazol [5,1c][1,2,3]-triazin-7-one dihydrate | (1,2,4)Triazolo(5,1-C)(1,2,

仕様と純度

≥98%

生化学的・生理学的メカニズム

Triazavirin (TZV, Riamilovir) is a novel antiviral drug, a nucleoside analogue of nucleic acid that inhibits the synthesis of viral RNA and DNA and replication of genomic fragments. Triazavirin is active against influenza and a number of other viruses. Tr

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

製品の性質

• ALogP: -0.184
• 回転可能な結合: 2

名前と識別子

• パブケム・シド: 528769081
• カノニカル・スマイル: CSC1=NN2C(=C(N=NC2=N1)[N+](=O)[O-])[O-].O.O.[Na+]
• IUPAC Name: sodium;7-methylsulfanyl-3-nitro-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-olate;dihydrate
• InChIKey: GDVSBVWTWGUDAW-UHFFFAOYSA-M
• INCHI: 1S/C5H4N6O3S.Na.2H2O/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5;;;/h12H,1H3;;2*1H2/q;+1;;/p-1
• 異性体SMILES: CSC1=NN2C(=C(N=NC2=N1)[N+](=O)[O-])[O-].O.O.[Na+]
• PubChem CID: 52947239
• 分子量: 286.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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 Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Triazine - Imidolactam - 1,2,4-triazine - Azole - 1,2,4-triazole - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic alkali metal salt - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic sodium salt - Organic oxide - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（非人間）

Influenza B virus (2113 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 57 mg/mL (199.16 mM); Water: 20 mg/mL (69.88 mM); Ethanol: Insoluble
• 感度: Moisture sensitive.
• DMSO（mg / mL） 最大溶解度: 57
• DMSO（mM） 最大溶解度: 199.16142557652
• 水（mg / mL） 最大溶解度: 20
• 水（mM） 最大溶解度: 69.8812019566737
• 分子量: 286.200 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 1
• Exact Mass: 286.01 Da
• Monoisotopic Mass: 286.01 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 262.000
• 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: 4

XLogP3