Asciminib
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- CAS-Nr.
- 1492952-76-7
- Englisch Name:
- Asciminib
- Synonyma:
- Asciminib;ABL-001;(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)nicotinamide;(R)-N- (4-(CHLORODIFLUOROMETHOXY)PHENYL)- 6-(3- HYDROXYPYRROLIDIN-1- YL)-5- (1H-PYRAZOL- 5-YL)NICOTI;Asimini;EOS-61420;L1F3R18W77;UNII-L1F3R18W77;2H4,15N]-Asciminib;(R)-N-[4-(Chlorodifluoromethoxy)phenyl]-6-(3-hydroxy-1-pyrrolidinyl)-5-(3-pyrazolyl)nicotinamide
- CBNumber:
- CB23133462
- Summenformel:
- C20H18ClF2N5O3
- Molgewicht:
- 449.84
- MOL-Datei:
- 1492952-76-7.mol
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Asciminib Eigenschaften
- Siedepunkt:
- 631.7±55.0 °C(Predicted)
- Dichte
- 1.518±0.06 g/cm3(Predicted)
- storage temp.
- Store at -20°C
- L?slichkeit
- DMSO:93.0(Max Conc. mg/mL);206.74(Max Conc. mM)
Ethanol:90.0(Max Conc. mg/mL);200.07(Max Conc. mM)
- Aggregatzustand
- A crystalline solid
- pka
- 10.81±0.70(Predicted)
- Farbe
- White to off-white
- InChIKey
- VOVZXURTCKPRDQ-CQSZACIVSA-N
- SMILES
- C1=NC(N2CC[C@@H](O)C2)=C(C2C=CNN=2)C=C1C(NC1=CC=C(OC(Cl)(F)F)C=C1)=O
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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Asciminib Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
Asciminib comprises ABL kinase inhibitors and/or SLC7A11 inhibitors for the treatment of cancer and central nervous system (CNS) disorders.
Synthese
The synthesis of asciminib hydrochloride was based on bromonicotinate 30.3. 30.3 can be prepared by SNAr reaction of chiral pyrrolidinol 30.2 with chloronicotinate 30.1. Suzuki cross-coupling of 30.3 with boronate 30.4 gave pyrazolenicotinate 30.5 on a 50 kg scale, which was subsequently treated with the free base of aniline 30.6 in the presence of potassium tert-butoxide to afford 30.8 from boronate 30.4 in 79-87% yields. Deprotection of the tetrahydropyranyl group was achieved by exposure to 37% HCl in MeOH, and the free base crystallized in 76% yield after adjusting the pH with sodium hydroxide. Asciminib hydrochloride (30) was then generated by addition of hydrochloric acid and crystallized in high yield from MeOH and MTBE.
target
BCR-ABL1
Asciminib Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
Asciminib Anbieter Lieferant Produzent Hersteller Vertrieb H?ndler.
Global( 152)Lieferanten
1492952-76-7()Verwandte Suche:
- ABL001;ABL-001
- ABL-001; AB -001; ABL001; ASCIMINIB; ASCIMINIB FREE BASE;
- asciminib free base
- Asciminib
(ABL-001)
- ABL-001 (ASCIMINIB)
- Asciminib
- Asciminib, 10 mM in DMSO
- Asciminib base
- (R)-N- (4-(chlorodifluoromethoxy)phenyl)- 6-(3- hydroxypyrrolidin-1- yl)-5- (1H-pyrazol- 5-yl)nicotinamide
- (R)-N- (4-(CHLORODIFLUOROMETHOXY)PHENYL)- 6-(3- HYDROXYPYRROLIDIN-1- YL)-5- (1H-PYRAZOL- 5-YL)NICOTI
- (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-hydroxypyrrolidin-1-yl)-5-(1H-pyrazol-3-yl)nicotinamide
- (R)-N-[4-(Chlorodifluoromethoxy)phenyl]-6-(3-hydroxy-1-pyrrolidinyl)-5-(3-pyrazolyl)nicotinamide
- 2H4,15N]-Asciminib
- 3-Pyridinecarboxamide, N-[4-(chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-
- ABL-001
- Asimini
- EOS-61420
- L1F3R18W77
- N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-3-pyridinecarboxamide
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
- UNII-L1F3R18W77
- N-[4-(Chlorodifluoromethoxy)phenyl]-6-[(3R)-3-hydroxy-1-pyrrolidinyl]-5-(1H-pyrazol-3-yl)-3-pyridinecarboxamide (ACI)
- 1492952-76-7
- 2201205-48-7
- C20H18ClF2N5O3
