Refametinib

Description: Refametinib / RDEA119 / BAY 86-9766 specifically inhibits mitogen-activated protein kinase kinase 1 (ATP non-competitive and highly selective inhibitor of MEK1 and MEK2 with IC50 of 19 nM and 47 nM, respectively), resulting in inhibition of growth factor-mediated cell signaling and tumor cell proliferation. MEK, a dual specificity threonine/tyrosine kinase, is a key component of the RAS/RAF/MEK/ERK signaling pathway that regulates cell growth; constitutive activation of this pathway has been implicated in many cancers.

• Catalog: OFC923032375
• CAS: 923032-37-5
• Category: Fluorinated APIs
• Synonyms: RDEA119
• Purity: >98%

• IUPAC Name: N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
• InChI: InChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
• InChI Key: RDSACQWTXKSHJT-NSHDSACASA-N
• Isomeric SMILES: COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)C[C@@H](CO)O)NC3=C(C=C(C=C3)I)F)F)F

• Molecular Formula: C19H20F3IN2O5S
• Molecular Weight: 572.34
• Appearance: White to off-white solid powder

• XLogP3-AA: 2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 572.00897 g/mol
• Monoisotopic Mass: 572.00897 g/mol
• Topological Polar Surface Area: 116Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 711