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Atebimetinib (IMM-1-104)

CAT: 1568-C18325-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C18325-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2669009-92-9
Target
MEK
Applications
Protein Tyrosine Kinase
Smiles
O=C1OC2=C (C (CN (C) C) =C1CC3=C (F) C (NS (=O) (NC) =O) =CC=C3) C=CC (OC (N (C) C) =O) =C2
Molecular Formula
C23H27FN4O6S
Additionnal Information
Atebimetinib inhibits MEK tyrosine kinase and demonstrates antineoplastic effects.

Chemical Information

Atebimetinib

Atebimetinib is an orally bioavailable inhibitor of mitogen-activated protein kinase kinase (MAP2K; MAPK/ERK kinase; MEK) 1 and MEK2, with potential antineoplastic activity. Upon oral administration, atebimetinib selectively binds to and inhibits the activity of MEK1/2. This prevents the activation of MEK1/2-dependent effector proteins and transcription factors, which may result in the inhibition of growth factor-mediated cell signaling and tumor cell proliferation. MEK1/2 (MAP2K1/K2) are dual-specificity threonine/tyrosine kinases that play key roles in the activation of the RAS/RAF/MEK/ERK pathway and are often upregulated in a variety of tumor cell types.

CAS Number2669009-92-9
PubChem CID168111901
IUPAC Name[4-[(dimethylamino)methyl]-3-[[2-fluoro-3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
Molecular FormulaC23H27FN4O6S
Molecular Weight506.5
XLogP1.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity919
SMILES
CNS(=O)(=O)NC1=CC=CC(=C1F)CC2=C(C3=C(C=C(C=C3)OC(=O)N(C)C)OC2=O)CN(C)C
InChI
InChI=1S/C23H27FN4O6S/c1-25-35(31,32)26-19-8-6-7-14(21(19)24)11-17-18(13-27(2)3)16-10-9-15(33-23(30)28(4)5)12-20(16)34-22(17)29/h6-10,12,25-26H,11,13H2,1-5H3
InChIKey
VGDONWMTHHBKMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Atebimetinib
CAS: 2669009-92-9
CID: 168111901
Formula: C23H27FN4O6S
MW: 506.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass506.16353393
Monoisotopic Mass506.16353393
Topological Polar Surface Area126 Ų
Heavy Atom Count35
Formal Charge0
Complexity919
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

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