Oseltamivir phosphate - Moligand™,≥99% , Neuraminidase inhibitor, CAS No.204255-11-8, Neuraminidase inhibitor

CAS: 204255-11-8 Cat. No.: O129509 Fórmula: C₁₆H₂₈N₂O₄·H₃PO₄ Peso molecular: 410.4 Número CE: 641-362-5

GRADE & PURITY Moligand™, ≥99%

Synonyms

(3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester phosphate | OSELTAMIVIR PHOSPHATE [USP IMPURITY] | BCP9001033 | CHEBI:7799 | SR-05000001960-1 | ETHYL-(3R,4R,5S)-4-ACETAMIDO-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOH

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Oseltamivir phosphate (Tamiflu) is a competitive neuraminidase inhibitor. The prodrμg oseltamivir phosphate (Tamiflu) is itself not virally effective; however, once in the liver, it is converted by natural chemical processes, hydrolysed hepatically to its active metabolite, the free carboxylate of oseltamivir (GS4071). Oseltamivir phosphate (Tamiflu) serves as a competitive inhibitor towards sialic acid, found on the surface proteins of normal host cells. By blocking the activity of the viral neuraminidase enzyme, oseltamivir phosphate (Tamiflu) prevents new viral particles from being released by infected cells. Oseltamivir phosphate (Tamiflu) is an antiviral drμg that slows the spread of influenza (flu) virus between cells in the body by stopping the virus from chemically cutting ties with its host cell.An antiviral agent

Specifications

Sinónimos

(3R,4R,5S)-4-acetylamino-5-amino-3-(1-ethyl-propoxy)-cyclohex-1-enecarboxylic acid ethyl ester phosphate | OSELTAMIVIR PHOSPHATE [USP IMPURITY] | BCP9001033 | CHEBI:7799 | SR-05000001960-1 | ETHYL-(3R,4R,5S)-4-ACETAMIDO-5-AMINO-3-(1-ETHYLPROPOXY)-1-CYCLOH

Especificações e pureza

Moligand™,≥99%

Mecanismos bioquímicos e fisiológicos

Viral neuraminidase inhibitor prodrug; metabolized to GS 4071. Metabolite exhibits potent inhibition of neuraminidase from multiple influenza strains (IC50values range from 0.3 to 2 nM). Inhibits cellular effects of influenza infectionin vitro(IC50values

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Neuraminidase inhibitor

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488185493

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185493

Sorrisos canónicos

CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC.OP(=O)(O)O

IUPAC Name

ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate;phosphoric acid

InChIKey

PGZUMBJQJWIWGJ-ONAKXNSWSA-N

INCHI

1S/C16H28N2O4.H3O4P/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19;1-5(2,3)4/h9,12-15H,5-8,17H2,1-4H3,(H,18,19);(H3,1,2,3,4)/t13-,14+,15+;/m0./s1

SMILES isoméricas

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)OCC.OP(=O)(O)O

Peso molecular

410.4

Reaxy-Rn

30137775

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30137775&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Organic phosphoric acids and derivatives Enoate esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboximidic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Gamma amino acid or derivatives - Organic phosphoric acid derivative - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Carboximidic acid - Carboximidic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Amine - Primary aliphatic amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
• External Descriptors: phosphate salt

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)

SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

Discover Target: SLC15A1

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Homo sapiens (32628 Activities)

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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ABCB11 Tchem Bile salt export pump (2311 Activities)

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ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

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ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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Alvos associados (não humanos)

NA Neuraminidase (1107 Activities)

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M Influenza virus A matrix protein M2 (517 Activities)

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Komagataella pastoris (7 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Influenza B virus (2113 Activities)

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Rattus norvegicus (775804 Activities)

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Influenza A virus (11224 Activities)

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MDCK (10148 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Slc15a1 Solute carrier family 15 member 1 (124 Activities)

Discover Target: Slc15a1

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Influenza A virus H3N2 (588 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 41.04, Max Conc. mM: 100; Solvent:water, Max Conc. mg/mL: 41.04, Max Conc. mM: 100
• Sensibilidade: Hygroscopic;Air sensitive;Heat sensitive;Light sensitive
• Ponto de ebulição (°C): 473.3°C at 760 mmHg
• Ponto de fusão (°C): 197 - 204 °C
• Peso molecular: 410.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 410.182 Da
• Monoisotopic Mass: 410.182 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 468.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 204255-11-8, the molecular formula is C16H31N2O8P, and the molecular weight is 410.4 g/mol. InChIKey PGZUMBJQJWIWGJ-ONAKXNSWSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.