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Nedometinib

CAT: 1568-C01938-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01938-02Size:25 mg
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CAS Number
2252314-46-6
Synonyms
NFX-179
SKU
C01938-5mg
Target
MEK
Applications
Protein Tyrosine Kinase
Additionnal Information
Nedometinib (NFX-179) is a highly specific and potent inhibitor of MEK1 with an IC50 of 135 nM. It also results in suppression of p-ERK levels and can be used in research and treatment of cutaneous neurofibromas (cNFs) associated with neurofibromatosis type 1 (NF1) .

Chemical Information

Nedometinib

Nedometinib is a topical gel formulation composed of an inhibitor of mitogen-activated protein kinase kinase (MAP2K; MAPKK; MEK), with potential antineoplastic activity. Upon topical administration, nedometinib penetrates into the dermis of the skin where it specifically targets, binds to and inhibits the catalytic activity of MEK, thereby inhibiting the activation of MEK-dependent effector proteins including extracellular signal-regulated kinase (ERK) and inhibits the proliferation of tumor cells in which the RAS/RAF/MEK/ERK signaling pathway is overactivated. The threonine/tyrosine protein kinase MEK plays a key role in the RAS/RAF/MEK/ERK signaling pathway, which is frequently upregulated in a variety of tumor cell types and regulates key cellular activities including cell growth, proliferation, survival, differentiation and apoptosis. Rapid degradation of NFX-179 upon reaching the systemic circulation minimizes side effects caused by systemic exposure.

CAS Number2252314-46-6
PubChem CID146585168
IUPAC Name2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
Molecular FormulaC17H16FIN4O3
Molecular Weight470.24
XLogP3.1
Topological Polar Surface Area88.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity489
SMILES
CN1C2=C(C=CC=N2)C(=C1NC3=C(C=C(C=C3)I)F)C(=O)NOCCO
InChI
InChI=1S/C17H16FIN4O3/c1-23-15-11(3-2-6-20-15)14(17(25)22-26-8-7-24)16(23)21-13-5-4-10(19)9-12(13)18/h2-6,9,21,24H,7-8H2,1H3,(H,22,25)
InChIKey
SENAOZROGSYRTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nedometinib
CAS: 2252314-46-6
CID: 146585168
Formula: C17H16FIN4O3
MW: 470.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.24
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass470.02512
Monoisotopic Mass470.02512
Topological Polar Surface Area88.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19231152-01Nedometinib

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