Dabrafenib Mesylate
Grundinformationen
- CAS
1195768-06-9- Standard-SMILES
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1.CS(=O)(=O)O- InChIKey
YKGMKSIHIVVYKY-UHFFFAOYSA-N- Summenformel
- C24H24F3N5O5S3
- Durchschnittliche Molmasse
- 615,7 g/mol
- Monoisotopische Masse
- 615,08916653
Überblick
Dabrafenib mesylate is a methanesulfonate (mesylate) salt prepared from equimolar amounts of dabrafenib and methanesulfonic acid. Used for treatment of metastatic melanoma. It has a role as an antineoplastic agent and a B-Raf inhibitor. It contains a dabrafenib.
Namen und Bezeichner
- Bevorzugter Name
- Dabrafenib Mesylate
- IUPAC
- N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic acid
- Englischer Name
- Dabrafenib Mesylate
- Summenformel
- C24H24F3N5O5S3
- Molmasse
- 615.66
Namen und Synonyme
Dabrafenib mesylate1195768-06-9TaflinarUNII-B6DC89I63EGSK 2118436BGSK-2118436BDabrafenib methanesulfonateGSK2118436BB6DC89I63Edabrafenib monomesylateGSK-2118436B MESYLATEGSK2118436 Methane sulfonate salt
Weitere Namen anzeigen
N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-benzenesulfonamide methanesulfonateDapafini mesylateabrafenibmesylateDabrfenib MesylateGSK2118436 MesylateGSK 2118436 MesylateGSK-2118436 MesylateDabrafenib Mesylate (API)
GSK2118436B, methane sulfonate saltGSK-2118436 METHANESULFONATE SALTGSK-2118436B METHANESULFONATE SALTCHEBI:75048DTXSID70152500Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, methanesulfonate (1:1)BENZENESULFONAMIDE, N-(3-(5-(2-AMINO-4-PYRIMIDINYL)-2-(1,1-DIMETHYLETHYL)-4-THIAZOLYL)-2-FLUOROPHENYL)-2,6-DIFLUORO-, METHANESULFONATE (1:1)N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide methanesulfonate
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 210 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 910
Experimentelle und physikochemische Eigenschaften
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physikochemische Eigenschaften
- Schmelzpunkt
- 234 oC · >234oC (dec.)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- DMSO (Slightly, Heated), Methanol (Slightly)
- Aggregatzustand
- White solid.
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- InChIKey
- YKGMKSIHIVVYKY-UHFFFAOYSA-N
- SMILES
- S(O)(=O)(=O)C.FC1C(=CC=CC=1C1N=C(C(C)(C)C)SC=1C1C=CN=C(N)N=1)NS(C1C(=CC=CC=1F)F)(=O)=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P260, P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P318, P319, P321, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
Toxikologische Informationen
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Dabrafenib mesylate
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Sicherheitsdaten
- hs_code
- 2935909099
Chemie und Industrie
Anwendungen
BeschreibungDabrafenib mesylate, sold by GlaxoSmithKline under the trade name Tafinlar, was approved by the U.S. FDA in May 2013 for the treatment of metastatic BRAF-mutant melanoma. Dabrafenib reversibly inhibits the BRAF(V600E) mutant kinase as a selective ATP-competitive inhibitor which results in tumor regression.
VerwendenDabrafenib is an inhibitor of mutated BRAF kinase and has clinical activity with a manageable safety profile in clinical trials of phase 1 and 2 in patients with BRAF(V600)-mutated metastatic melanoma.
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