N-Tosyl-5-bromo-4,7-diazaindole
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- CAS-Nr.
- 1201186-54-0
- Englisch Name:
- N-Tosyl-5-bromo-4,7-diazaindole
- Synonyma:
- 2-BroMo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine;5H-Pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]-;Upatinib Impurity 2;Upatinib Impurity 45;Upadacitinib Impurity 2;Upadacitinib Impurity 45;N-Tosyl-5-bromo-4,7-diazaindole;Glycerol(Glycerophosphoric acid);3-Bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine;2-BROMO-5-(P-TOLYLSULFONYL)-5H-PYRROLO[2,3-B]PYRAZINE
- CBNumber:
- CB62470216
- Summenformel:
- C13H10BrN3O2S
- Molgewicht:
- 352.21
- MOL-Datei:
- 1201186-54-0.mol
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N-Tosyl-5-bromo-4,7-diazaindole Eigenschaften
- Siedepunkt:
- 499.6±55.0 °C(Predicted)
- Dichte
- 1.68±0.1 g/cm3(Predicted)
- storage temp.
- under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -2.22±0.30(Predicted)
- Aussehen
- Light brown to brown Solid
- InChI
- InChI=1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h2-8H,1H3
- InChIKey
- UMZKBENCNNDLRF-UHFFFAOYSA-N
- SMILES
- C12N(S(C3=CC=C(C)C=C3)(=O)=O)C=CC1=NC(Br)=CN=2
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. |
| 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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N-Tosyl-5-bromo-4,7-diazaindole Chemische Eigenschaften,Einsatz,Produktion Methoden
synthetische
A solution of anhydrous DMF (272 mL) dissolved with 2-bromo-5H-pyrrolo[2,3-b]pyrazine (78.0 g, 394 mmol) was configured. The temperature is maintained at 0-5 °C (within which the subsequent reaction has been maintained), and the solution was droppedly added to the sodium (12.8 g, 532 mmol) anhydrous DMF (543 mL) suspension in the stirred state within 60 minutes. The solution turned brown and the reaction solution was stirred for about 30 min. Then, within 60 minutes, anhydrous DMF (272 mL) dissolved with p-toluenesulfonyl chloride (94.0 g, 492 mmol) was added. After stirring the mixed solution for about 1 h, it was heated to ambient temperature and stirred for about 18 h. Slowly pour the reaction mixture into ice water (6 L) and added 2.5 N NaOH in water (50.0 mL, 125 mmol). Filter the sediment to collect and stirred 3 times with cold water (200 mL). Finally, the collected products were filtered and dried to a constant weight in a vacuum oven at about 55 °C to obtain N-Tosyl-5-bromo-4,7-diazaindole (134.6 g, 97%).
Einzelnachweise
[1] Yael Ross, Marina Magrey, Use of upadacitinib in the treatment of psoriatic arthritis, Immunotherapy, 2021, 13.
[2] Lina Serhal, Christopher J Edwards, Upadacitinib for the treatment of rheumatoid arthritis, Expert Review of Clinical Immunology, 2018, 15,13-25.
[3] Eleni Kotsiliti, Upadacitinib therapy for Crohn’s disease, Nature Reviews Gastroenterology & Hepatology, 2023, 20, 483.
N-Tosyl-5-bromo-4,7-diazaindole Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
N-Tosyl-5-bromo-4,7-diazaindole Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 194)Lieferanten
- N-Tosyl-5-bromo-4,7-diazaindole
- 2-Bromo-5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazine
- 2-BROMO-5-(P-TOLYLSULFONYL)-5H-PYRROLO[2,3-B]PYRAZINE
- 2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
- 2-bromo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine
- Upadacitinib Impurity 2
- 5H-Pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]-
- Glycerol(Glycerophosphoric acid)
- 3-Bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
- 2-BroMo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine,N-Tosyl-5-bromo-4,7-diazaindole
- Upadacitinib Impurity 45
- Upatinib Impurity 45
- Upatinib Impurity 2
- 2-BroMo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
- 1201186-54-0
- Azaindoles
