Remdesivir N-2
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- CAS-Nr.
- 1191237-80-5
- Englisch Name:
- Remdesivir N-2
- Synonyma:
- (3aR,4R,6R,6aR)-4-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile;GS-5;Remdesivir-015;remdesivir N-2;NSJ-Remdesivir-RS009;Redesivir Impurity 8;Remdesivir Impurity 7;Remdesivir Intermediate 4;Remdesivir Intermediate 2;Remdesivir No. 5 Intermediate
- CBNumber:
- CB15493006
- Summenformel:
- C15H17N5O4
- Molgewicht:
- 331.33
- MOL-Datei:
- 1191237-80-5.mol
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Remdesivir N-2 Eigenschaften
- Dichte
- 1.66±0.1 g/cm3(Predicted)
- storage temp.
- Storage temp. 2-8°C
- L?slichkeit
- DMSO:55.5(Max Conc. mg/mL);167.51(Max Conc. mM)
Ethanol:5.0(Max Conc. mg/mL);15.09(Max Conc. mM)
PBS (pH 7.2):0.3(Max Conc. mg/mL);0.91(Max Conc. mM)
DMF:12.0(Max Conc. mg/mL);36.22(Max Conc. mM)
- Aggregatzustand
- A solid
- pka
- 14.14±0.10(Predicted)
- Farbe
- Off-white to light yellow
- InChI
- InChI=1/C15H17N5O4/c1-14(2)23-11-9(5-21)22-15(6-16,12(11)24-14)10-4-3-8-13(17)18-7-19-20(8)10/h3-4,7,9,11-12,21H,5H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15+/s3
- InChIKey
- IJCOKJGMVJGKBB-ULVJVTQWNA-N
- SMILES
- C([C@@]1(C2=CC=C3C(=NC=NN23)N)O[C@H](CO)[C@@]2([H])OC(C)(C)O[C@@]12[H])#N |&1:1,13,16,23,r|
Sicherheit
- Risiko- und Sicherheitserkl?rung
- Gefahreninformationscode (GHS)
| Bildanzeige (GHS) |
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| Alarmwort |
Warnung
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| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H302 |
Gesundheitssch?dlich bei Verschlucken. |
Akute Toxizit?t oral |
Kategorie 4 |
Warnung |
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P264, P270, P301+P312, P330, P501 |
| H315 |
Verursacht Hautreizungen. |
Hautreizung |
Kategorie 2 |
Warnung |
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P264, P280, P302+P352, P321,P332+P313, P362 |
| H319 |
Verursacht schwere Augenreizung. |
Schwere Augenreizung |
Kategorie 2 |
Warnung |
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P264, P280, P305+P351+P338,P337+P313P |
| H335 |
Kann die Atemwege reizen. |
Spezifische Zielorgan-Toxizit?t (einmalige Exposition) |
Kategorie 3 (Atemwegsreizung) |
Warnung |
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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 zweckm??ig, 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 M?glichkeit entfernen. Weiter spülen. |
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Remdesivir N-2 Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
Remdesivir N-2 can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in the research and development and chemical production of Remdesivir.
Synthese
5.62g of compound GS-441524 was dissolved in 30mL of acetone, 11.50mL of 2,2-dimethoxypropane and 1.34mL of sulfuric acid were added, stirred at 45C for half an hour, cooled to 25C, and the organic solvent was removed by rotary evaporation. It was extracted with 100 mL of ethyl acetate and 100 mL of saturated sodium bicarbonate aqueous solution, and the extraction was repeated three times. The ethyl acetate layers were combined, dried by adding anhydrous sodium sulfate, and filtered to remove sodium sulfate. The organic solvent was removed by rotary evaporation, and column chromatography was performed (eluent: petroleum ether/ethyl acetate (V/V)=1/2) to obtain 6.20 g of compound 5 (white solid, 97% yield).
Remdesivir N-2 Upstream-Materialien And Downstream Produkte
Upstream-Materialien
GS 441524
D-Ribofuranose, 1-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,3,5-tris-O-(phenylmethyl)-
(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-carbonitrile
Remdesivir impurity2
2,3,5-TRI-O-BENZYL-L-ARABINOFURANOSE
4-amino-7-iodopyrrolo [2,1-f ] [1,2,4] triazine
PYRROLO[1,2-F][1,2,4]TRIAZIN-4-AMINE
Aceton-dimethylacetal
Downstream Produkte
Remdesivir N-2 Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 112)Lieferanten
- Remdesivir Intermediate 4
- Remdesivir Related Compound 7
- Remdesivir-015
- Remdesivir O-desphosphate acetonide impurity
- (3αR,4R,6R,6αR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile
- (3Ar,4R,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile
- Remdesivir No. 5 Intermediate
- (3αR,4R,6R,6αR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyltetrahydr
- NSJ-Remdesivir-RS009
- (3ar, 4R, 6R, 6aR) - 4 - (4-aminopyrrole [1,2-f] [1,2,4] triazine-7-yl) - 6 - (hydroxymethyl) - 2,2-dimethyl-tetrahydrofuran [3,4-d] [1,3] dioxazole-4-nitrile
- 2-C-(4-AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-7-YL)-2,5-ANHYDRO-3,4-O-(1-METHYLETHYLIDE-D-ALTRONONITRILE
- 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-O-(1-methylethylidene)-D-Altrononitrile
- D-ALTRONONITRILE, 2-C-(4-AMINOPYRROLO[2,1-F][1,2,4]TRIAZIN-7-YL)-2,5-ANHYDRO-3,4-O-(1-METHYLETHYLIDE
- (3aR,4R,6R,6aR)-4-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile
- (4R)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile
- Remdesivir Impurity 7
- remdesivir N-2
- GS-5
- D-Altrononitrile, 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-O-(1-methylethylidene)-
- 2-C-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-O-(1-methylethylidene)-
- D-Altrononitrile,2-C-(4-aminopyrrolo[2,1-f][1,2,4Chemicalbook]triazin-7-yl)-2,5-anhydro-3,4-O-(1-methylethylidene)-
- Remdesivir Intermediate 2
- Remdesivir Acetonide Nitrile Impurity
- Remdesivir Impurity 7 (Remdesivir Acetonide Nitrile Impurity)
- Remdesivir O-desphosphate acetonide
- Redesivir Impurity 8
- (3aR,4R,6R,6aR)-4-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile
- 1191237-80-5
- PEG
