Trametinib

Description: Trametinib / GSK1120212 specifically binds to and inhibits MEK 1 and 2, resulting in an inhibition of growth factor-mediated cell signaling and cellular proliferation in various cancers. MEK 1 and 2, dual specificity threonine/tyrosine kinases often upregulated in various cancer cell types, play a key role in the activation of the RAS/RAF/MEK/ERK signaling pathway that regulates cell growth.

• Catalog: OFC871700173
• CAS: 871700-17-3
• Category: Fluorinated APIs
• Synonyms: GSK1120212
• Purity: >98%

• IUPAC Name: N-[3-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]phenyl]acetamide
• InChI: InChI=1S/C26H23FIN5O4/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/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)
• InChI Key: LIRYPHYGHXZJBZ-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC=CC(=C4)NC(=O)C)C5CC5
• EC Number: 629-899-3

• Molecular Formula: C26H23FIN5O4
• Molecular Weight: 615.39
• Appearance: White to off-white solid powder

• XLogP3-AA: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 615.07788 g/mol
• Monoisotopic Mass: 615.07788 g/mol
• Topological Polar Surface Area: 102Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 1090