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Chemical structure of Refametinib R enantiomer

GC37516

Refametinib R enantiomer

Also known as N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2R)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide

Refametinib R enantiomer is a MEK inhibitor extracted from patent WO2007014011A2, compound 1022, has an EC50 of 2·0-15 nM

ChemicalCAS923032-38-6MW572.34FormulaC19H20F3IN2O5S
CAS number
923032-38-6
Molecular weight
572.34
Formula
C19H20F3IN2O5S
Solubility
Soluble in DMSO
InChIKey
RDSACQWTXKSHJT-LLVKDONJSA-N
Catalogue number
GC37516
Brand
GLPBIO
Computed properties PubChem CID 50912933 · XLogP 2.8 · TPSA 116 Ų · H-bond donors 4
XLogP
2.8
TPSA
116 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
31

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

Computed descriptors from PubChem (CID 50912933), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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