Trametinib dimethyl sulfoxideProduct ingredient for Trametinib
- Name
- Trametinib dimethyl sulfoxide
- Drug Entry
- Trametinib
Trametinib is an orally bioavailable mitogen-activated extracellular signal-regulated kinase 1 (MEK1) and MEK2 inhibitor.4,3 It was first approved by the FDA in May 2013 for the treatment of melanoma.4 It was later approved by Health Canada on July 18, 2013 9 and by the European Commission on June 30, 2014.8 Trametinib is currently approved to treat a variety of cancers with BRAF mutations, such as non-small cell lung cancer and thyroid cancer, as monotherapy or in combination with dabrafenib, a BRAF inhibitor, for improved therapeutic efficacy. Originally developed by Japan Tobacco, trametinib was initially investigated for treating inflammation, but further studies for this indication were not pursued.4
- Accession Number
- DBSALT001947
- Structure
Structure for Trametinib dimethyl sulfoxide (DBSALT001947)
- Synonyms
- Trametinib DMSO
- External IDs
- GSK-1120212B / GSK1120212B
- UNII
- BSB9VJ5TUT
- CAS Number
- 1187431-43-1
- Weight
- Average: 693.53
Monoisotopic: 693.09181 - Chemical Formula
- C28H29FIN5O5S
- InChI Key
- OQUFJVRYDFIQBW-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H23FIN5O4.C2H6OS/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34;1-4(2)3/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34);1-2H3
- IUPAC Name
- N-(3-{3-cyclopropyl-5-[(2-fluoro-4-iodophenyl)amino]-6,8-dimethyl-2,4,7-trioxo-1H,2H,3H,4H,6H,7H-pyrido[4,3-d]pyrimidin-1-yl}phenyl)acetamide; methanesulfinylmethane
- SMILES
- CS(C)=O.CN1C(=O)C(C)=C2N(C(=O)N(C3CC3)C(=O)C2=C1NC1=C(F)C=C(I)C=C1)C1=CC(NC(C)=O)=CC=C1
- External Links
- KEGG Drug
- D10176
- ChemSpider
- 28527734
- ChEBI
- 75991
- ChEMBL
- CHEMBL2105741
- Predicted Properties
Property Value Source Water Solubility 0.0307 mg/mL ALOGPS logP 3.45 ALOGPS logP 3.18 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) 12.6 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 102.06 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 156.38 m3·mol-1 Chemaxon Polarizability 55.16 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon