Dabrafenib mesylateProduct ingredient for Dabrafenib
- Name
- Dabrafenib mesylate
- Drug Entry
- Dabrafenib
Dabrafenib mesylate (Tafinlar) is a reversible ATP-competitive kinase inhibitor and targets the MAPK pathway. It was approved on May 29, 2013, for the treatment of melanoma with V600E or V6000K mutation.20 It was also used for metastatic non-small cell lung cancer with the same mutation.20
In May 2018, Tafinlar (dabrafenib), in combination with Mekinist (Trametinib), was approved to treat anaplastic thyroid cancer caused by an abnormal BRAF V600E gene.20
- Accession Number
- DBSALT000036
- Structure
Structure for Dabrafenib mesylate (DBSALT000036)
- Synonyms
- Dabrafenib mesilate / Dabrafenib mesylate / Dabrafenib methanesulfonate
- External IDs
- GSK 2118436B / GSK-2118436B / GSK2118436B
- UNII
- B6DC89I63E
- CAS Number
- 1195768-06-9
- Weight
- Average: 615.668
Monoisotopic: 615.089165588 - Chemical Formula
- C24H24F3N5O5S3
- InChI Key
- YKGMKSIHIVVYKY-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H20F3N5O2S2.CH4O3S/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)
- IUPAC Name
- N-{3-[2-tert-butyl-5-(2-imino-1,2-dihydropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzene-1-sulfonamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC(C)(C)C1=NC(=C(S1)C1=NC(=N)NC=C1)C1=C(F)C(NS(=O)(=O)C2=C(F)C=CC=C2F)=CC=C1
- External Links
- PubChem Compound
- 44516822
- ChemSpider
- 25948205
- ChEBI
- 75048
- ChEMBL
- CHEMBL2105729
- Wikipedia
- Dabrafenib
- Predicted Properties
Property Value Source Water Solubility 0.00262 mg/mL ALOGPS logP 4.57 ALOGPS logP 4.49 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 7.07 Chemaxon pKa (Strongest Basic) 15 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 107.3 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 137.87 m3·mol-1 Chemaxon Polarizability 49.42 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon