COMPUTED DESCRIPTORS
Molecular Weight | 555.8 g/mol |
---|---|
Hydrogen Bond Donor Count | 5 |
Hydrogen Bond Acceptor Count | 10 |
Rotatable Bond Count | 6 |
Exact Mass | 553.96739 g/mol |
Monoisotopic Mass | 553.96739 g/mol |
Topological Polar Surface Area | 171 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 604 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Selumetinib Sulfate is the sulfate salt of selumetinib, an orally active, small molecule with potential antineoplastic activity. Selumetinib is an ATP-independent inhibitor of mitogen-activated protein kinase kinase (MEK or MAPK/ERK kinase) 1 and 2. MEK 1 and 2 are dual specificity kinases that are essential mediators in the activation of the RAS/RAF/MEK/ERK pathway, are often upregulated in various cancer cells, and are drivers of diverse cellular responses, including proliferation. Inhibition of both MEK1 and 2 by selumetinib prevents the activation of MEK1/2 dependent effector proteins and transcription factors, thereby leading to an inhibition of cellular proliferation in various cancers.