Radotinib
Grundinformationen
- CAS
926037-48-1- Standard-SMILES
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1- InChIKey
DUPWHXBITIZIKZ-UHFFFAOYSA-N- Summenformel
- C27H21F3N8O
- Durchschnittliche Molmasse
- 530,5 g/mol
- Monoisotopische Masse
- 530,17904181
Überblick
Radotinib is under investigation for the treatment of Leukemia, Myelogenous, Chronic, BCR-ABL Positive.
Namen und Bezeichner
- Bevorzugter Name
- Radotinib
- IUPAC
- 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
- Englischer Name
- Radotinib
- Summenformel
- C27H21F3N8O
- Molmasse
- 530.5
Namen und Synonyme
Radotinib926037-48-1IY55114-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyrazin-2-yl)pyrimidin-2-yl]amino}benzamideI284LJY110DTXSID902390694-Methyl-N-(3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl)-3-(4-(pyrazin-2-yl)pyrimidin-2-ylamino)benzamideradotinibum4-methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyrazin-2-ylpyrimidin-2-yl)amino)benzamideRefChem:178558
Weitere Namen anzeigen
Radotinib HClCS-1712IY5511 HCl.Radotinib(IY-5511)IY5511 HCL.Testosterone Impurity 43Radotinib, 10 mM in DMSO
DTXCID60161560supectIY-5511Radotinib [INN]UNII-I284LJY110MFCD27956910NSC800989NSC-800989
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 111 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 39
- Formalladung
- 0
- Komplexität
- 818
Experimentelle und physikochemische Eigenschaften
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antineoplastic and immunomodulating agents -> Antineoplastic agents
Physikochemische Eigenschaften
- Dichte
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 26.55 mg/mL · ≥26.55 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
- Aggregatzustand
- solid
- pka
- 12.94 · 12.94±0.70(Predicted)
- Farbe
- Light yellow to yellow
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
Philadelphia chromosome positive (Ph+) leukemia is driven by the constitutive enzymatic activity of the BCR-ABL1 fusion kinase. Tyrosine kinase inhibitors (TKIs) that block the activity of BCR-ABL1 are successfully used clinically to treat chronic myeloid leukemia (CML) and Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL).
Anwendungen
BeschreibungRadotinib, an inhibitor of Bcr–Abl tyrosine kinase,was approved in January 2012 in Korea as a second-line treatment for chronic myeloid leukemia (CML). Radotinib is a TKI with a similar structure to the second-generation TKI, nilotinib, in which a pyridyl group has been replaced with a pyrazinemoiety. The in vitro activity of radotinib against a variety of tumor cell lines is disclosed in an issued patent. Radotinib was significantly more potent than imatinib in all of the cell lines tested. The synthesis of radotinib via amide coupling is described in the patent literature.
VerwendenRadotinib is tyrosine kinase inhibitor. In a biological study, it can induce cytotoxicity in c-KIT-positive malignancies including acute myeloid leukemia and small cell lung cancer in human making it potential target agent for treatment of such malignancies. It is a COVID19-related research product.
Anbieter99 Anbieter
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
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