Oseltamivir phosphate - Moligand™,2mM in DMSO , Neuraminidase inhibitor, CAS No.204255-11-8, Neuraminidase inhibitor

CAS: 204255-11-8 Cat. No.: O422484 Summenformel: C₁₆H₂₈N₂O₄·H₃PO₄ Molekulargewicht: 410.4 EG-Nummer: 641-362-5

GRADE & PURITY Moligand™, 2mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Oseltamivir phosphate (Tamiflu) is a competitive neuraminidase inhibitor. The prodrug 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 drug 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

Synonyme

(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

Spezifikationen & Reinheit

Moligand™,2mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Neuraminidase inhibitor

Namen und Kennungen

Pubchem Sid

528774334

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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

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SLC15A1 Tchem Oligopeptide transporter small intestine isoform (922 Activities)

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Homo sapiens (32628 Activities)

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

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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)

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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)

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Slc15a1 Solute carrier family 15 member 1 (124 Activities)

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Influenza A virus H3N2 (588 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Siedepunkt (°C): 473.3°C at 760 mmHg
• Schmelzpunkt (°C): 197 - 204 °C
• Molekulargewicht: 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