Umifenovir
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Grundinformationen
- CAS
131707-25-0- Standard-SMILES
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12- InChIKey
KCFYEAOKVJSACF-UHFFFAOYSA-N- Summenformel
- C22H25BrN2O3S
- Durchschnittliche Molmasse
- 477,4 g/mol
- Monoisotopische Masse
- 476,07693
Namen und Bezeichner
- Bevorzugter Name
- Umifenovir
- IUPAC
- ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
- Englischer Name
- Arbidol
- Summenformel
- C22H25BrN2O3S
- Molmasse
- 477.41
Namen und Synonyme
umifenovir131707-25-0ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate93M09WW4RUethyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl esterDTXSID608950151H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl esterEthyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylatearbidoleumifenovirumethyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
Weitere Namen anzeigen
Ethyl 6-bromo-5-hydroxy-1-methyl-4-((dimethylamino)methyl)-2-[(phenylthio)methyl]-1H-indole-3-carboxylateArbidol2H6]-UmifenovirArbidol USP/EP/BPArbidol?(Umifenovir)Abbidore intermediate 6Arbidol Pills UmifenovirArbidol CAS NO.131707-25-0
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 4,4
- Polarare Oberfläche (TPSA)
- 80 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 546
Physikochemische Eigenschaften
- Siedepunkt
- 591.8 · 591.8±50.0 °C(Predicted)
- Dichte
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 6.02 · 6.02±0.50(Predicted)
- Farbe
- Pale Brown to Light Brown
- InChI
- InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
- InChIKey
- KCFYEAOKVJSACF-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C(C(CN(C)C)=C(O)C(Br)=C2)C(C(OCC)=O)=C1CSC1=CC=CC=C1
Chemie und Industrie
Anwendungen
BeschreibungArbidol, or umifenovir, an indole-derivative with broad-spectrum activity against both enveloped and non-enveloped viruses,was initially approved in China and Russia for the treatment of influenza A and B.Arbidol is believed to block the entry of influenza virus (A and B) into the host cells by increasing the stability of the hemagglutinin (HA) and hampering low pH reorganizations necessary for fusion machinery of hemagglutinin with the membrane.Arbidol could interfere with advanced stages of the viral life cycle, in that it is capable of interacting with both viral proteins and lipids.Regarding its structure, the presence of amine in position 4 and the hydroxyl moiety in position 5 is crucial for its antiviral activity. It is reported that 40% of the drug could be excreted unchanged after the administration while its half-life is between 17 and 21h.
VerwendenUmifenovir is an intermediate in synthesizing Arbidol Sulfoxide (A766005), a metabolite of Arbidol (A766000) which is a medicinal agent for treating viral infections.
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