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Refametinib

CAT: 1410-M16609-03Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M16609-03Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, non–ATP-competitive, highly selective, allosteric inhibitor of MEK1/2 with IC50 of 19/47 nM respectively.
CAS Number
923032-37-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
572.3372
Molecular Formula
C19H20F3IN2O5S
Notes
Research use only, not for human use.
Receptor
MEK1|MEK2

Chemical Information

Refametinib

Refametinib is an orally bioavailable selective MEK inhibitor with potential antineoplastic activity. Refametinib specifically inhibits mitogen-activated protein kinase kinase 1 (MAP2K1 or MAPK/ERK kinase 1), resulting in inhibition of growth factor-mediated cell signaling and tumor cell proliferation.

CAS Number923032-37-5
PubChem CID44182295
IUPAC NameN-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide
Molecular FormulaC19H20F3IN2O5S
Molecular Weight572.3
XLogP2.8
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity711
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
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
InChIKey
RDSACQWTXKSHJT-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Refametinib
CAS: 923032-37-5
CID: 44182295
Formula: C19H20F3IN2O5S
MW: 572.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.3
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass572.00897
Monoisotopic Mass572.00897
Topological Polar Surface Area116 Ų
Heavy Atom Count31
Formal Charge0
Complexity711
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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