Baloxavir marboxil
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- CAS-Nr.
- 1985606-14-1
- Englisch Name:
- Baloxavir marboxil
- Synonyma:
- Xofluza;S-033188;(3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate;CS-2794;S-033188;XOFLUZA;Baloxavirmarboxi;aloxavir marboxil;2'S)-Folinic acid;Baloxavir marboxil;Baoxavir
Marboxdil
- CBNumber:
- CB63361382
- Summenformel:
- C27H23F2N3O7S
- Molgewicht:
- 571.55
- MOL-Datei:
- 1985606-14-1.mol
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Baloxavir marboxil Eigenschaften
- Siedepunkt:
- 712.8±70.0 °C(Predicted)
- Dichte
- 1.57±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Store in freezer, under -20°C
- Löslichkeit
- DMSO:45.0(Max Conc. mg/mL);78.73(Max Conc. mM)
- Aggregatzustand
- A crystalline solid
- pka
- -1.46±0.40(Predicted)
- InChIKey
- HKVHAHZGMLTCDW-BWFGELNCSA-N
- SMILES
- C(O)(=O)OC(OC1=C2N(C=CC1=O)N([C@H]1C3=CC=C(F)C(F)=C3CSC3=CC=CC=C31)[C@]1([H])COCCN1C2=O)C
Sicherheit
- Risiko- und Sicherheitserklärung
- Gefahreninformationscode (GHS)
| Bildanzeige (GHS) |
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| Alarmwort |
Warnung |
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H302 |
Gesundheitsschädlich bei Verschlucken. |
Akute Toxizität oral |
Kategorie 4 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
| H315 |
Verursacht Hautreizungen. |
Hautreizung |
Kategorie 2 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
Verursacht schwere Augenreizung. |
Schwere Augenreizung |
Kategorie 2 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P280, P305+P351+P338,P337+P313P |
| H335 |
Kann die Atemwege reizen. |
Spezifische Zielorgan-Toxizität (einmalige Exposition) |
Kategorie 3 (Atemwegsreizung) |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
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| Sicherheit |
| P261 |
Einatmen von Staub vermeiden. |
| P280 |
Schutzhandschuhe/Schutzkleidung/Augenschutz tragen. |
| P301+P312 |
BEI VERSCHLUCKEN: Bei Unwohlsein GIFTINFORMATIONSZENTRUM/Arzt/... (geeignete Stelle für medizinische Notfallversorgung vom Hersteller/Lieferanten anzugeben) anrufen. |
| P302+P352 |
BEI BERÜHRUNG MIT DER HAUT: Mit viel Wasser/... (Hersteller kann, falls zweckmäßig, ein Reinigungsmittel angeben oder, wenn Wasser eindeutig ungeeignet ist, ein alternatives Mittel empfehlen) waschen. |
| P305+P351+P338 |
BEI KONTAKT MIT DEN AUGEN: Einige Minuten lang behutsam mit Wasser spülen. Eventuell vorhandene Kontaktlinsen nach Möglichkeit entfernen. Weiter spülen. |
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Baloxavir marboxil Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
Baloxavir Marboxil is a prodrug of S-033447, which is an inhibitor of the cap-dependent endonuclease of influenza A and B viruses.
synthetische
The synthesis of baloxavir marboxil involved the following steps: The coupling of the 1-R and 2 fragments was carried out under dehydration conditions of 1-propanephosphonic anhydride (T3P) and methanesulfonic acid at 70 °C to obtain protected baloxavir 19. Compound 19 was then reacted with 0.6 equivalents of PhBr and K2CO3. Debenzylation was then carried out using LiCl in CH3CONMe2 to give baloxavir acid in 94% yield. In the final step for the preparation of the prodrug, baloxavir acid was reacted with chloromethyl methyl carbonate in dimethylacetamide in 93% yield to form baloxavir marboxyl.
The reaction mechanism for the final step for the synthesis of baloxavir marboxil(BXM).
Trademarks
XOFLUZA? (baloxavir marboxil)
Mechanism of action
Baloxavir marboxil is an influenza therapeutic agent, specifically, an enzyme inhibitor targeting the influenza virus' cap-dependent endonuclease activity, one of the activities of the virus polymerase complex. In particular, it inhibits a process known as cap snatching, by which the virus derives short, capped primers from host cell RNA transcripts, which it then uses for polymerase-catalyzed synthesis of its needed viral mRNAs. A polymerase subunit binds to the host pre-mRNAs at their 5' caps, then the polymerase's endonuclease activity catalyzes its cleavage "after 10–13 nucleotides". As such, its mechanism is distinct from neuraminidase inhibitors such as oseltamivir and zanamivir.
Nebenwirkungen
Common side effects following the single dose administration of baloxavir marboxil include diarrhea, bronchitis, common cold, headache, and nausea. Adverse events were reported in 21% of people who received baloxavir, 25% of those receiving placebo, and 25% of oseltamivir.
Baloxavir marboxil Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Zofluza intermediate
3,4-Difluorbenzoesure
7,8-difluorodibenzo[B,E]thiazepine-11(6H)-one
2-(2-aminoethoxy)-1,1-dimethoxyethane
Methansulfonsure
(R)-(+)-2-Tetrahydrofuroic acid
(R)-7-(benzyloxy)- 3,4,12,12a-tetrahydro- 1H-[1,4]oxazino[3,4- c]pyrido[2,1-f][1,2,4]- triazine-6,8-dione
allyl 3-methoxymorpholine-4-carboxylate
3-(Benzyloxy)-4-oxo-4h-pyran-2-carboxylic acid
1-Amino-3-benzyloxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid ethyl ester
Allyl 3-((3-(benzyloxy)-2-(ethoxycarbonyl)-4-oxopyridin-1(4H)-yl)amino)morpholine-4-carboxylate
Downstream Produkte
Baloxavir marboxil Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 280)Lieferanten
1985606-14-1()Verwandte Suche:
- CS-2794
- S-033188;XOFLUZA
- aloxavir marboxil
- PubChem ID: 124081896
- Baloxavir marboxil
- baloxavir marboxil S-033188
- Baloxavir Impurity 9
- Carbonic acid, [[(12aR)-12-[(11S)-7,8-difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-3,4,6,8,12,12a-hexahydro-6,8-dioxo-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl]oxy]methyl methyl ester
- Baoxavir
Marboxdil
- N - [(s) - (2,3,4,5,6-pentafluorophenoxy) phenoxyphosphoryl] - L-alanine isopropyl ester (pentafluoroside chain)
- Baloxavir marboxil (BXM, S033188)
- 1985606-14-1 Baloxavir marboxil
- 2'S)-Folinic acid
- S-033188
- Xofluza
- Baloxavir marboxil1
- (3R)-2-[(11S)-7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-dien-11-yl]oxymethyl methyl carbonate
- (((R)-12-((S)-7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl)oxy)methyl methyl carbonate
- {[(3R)-2-[(2S)-12,13-difluoro-9-thiatricyclo[9.4.0.03,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.03,?]tetradeca-10,13-dien-11-yl]oxy}methyl methyl carbonate
- Baloxavirmarboxi
- IBaloxavir marboxi
- Baloxavir marboxil API
- Baloxavir Marboxil In-House
- baloxavirmarboxil impurities
- ({(12aR)-12-[(11S)-7,8-Difluoro-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-6,8-dioxo-3,4,6,8,12,12a-hexahydro-1H-[1,4]oxazino[3,4-c]pyrido[2,1-f][1,2,4]triazin-7-yl}oxy)methyl methyl carbonate
- 1985606-14-1
- 985606-14-1
- 1986605-59-1
- C27H23F2N3O7S
- API
- 1985606-14-1
