CX-4945 sodium salt

Chemical Information
Silmitasertib Sodium is the sodium salt form of silmitasertib, an orally bioavailable small-molecule inhibitor of the enzyme casein kinase II (CK2), with potential antineoplastic, anti-viral and immunomodulatory activities. Upon oral administration, silmitasertib selectively binds to and inhibits the activity of CK2. This may inhibit proliferation of CK2-expressing tumor cells, and may also inhibit the replication of severe acute respiratory syndrome coronavirus-2 (SARS-COV-2). In addition, this may restore normal host cell cytokine regulation, prevent cytokine storm and suppress the hyperactivation of the innate immune system. CK2, a protein kinase often overexpressed in a variety of cancer cell types, appears to be correlated with malignant transformation, tumor growth and survival. CK2 regulates a diverse array of pro-survival cellular processes including epidermal growth factor receptor (EGFR) signaling, PI3K/AKT/mTOR signaling, hedgehog (Hh) signaling, Hsp90 machinery, hypoxia, and interleukin (IL)-6 expression. CK2 also regulates the activity of XRCC1 and MDC1, two mediator/adaptor proteins that are essential for DNA repair. CK2 is upregulated by SARS-COV-2 and is associated with SARS-COV-2 viral replication and the development of cytokine storm.
| CAS Number | 1309357-15-0 |
| PubChem CID | 49788959 |
| IUPAC Name | sodium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate |
| Molecular Formula | C19H11ClN3NaO2 |
| Molecular Weight | 371.7 |
| Topological Polar Surface Area | 77.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 497 |
| Property | Value |
|---|---|
| Molecular Weight | 371.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 371.0437486 |
| Monoisotopic Mass | 371.0437486 |
| Topological Polar Surface Area | 77.9 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 497 |
| 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 |
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