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CX-4945 sodium salt

CAT: 0607-B4903-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0607-B4903-2Size:2 mg
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Description
CK2 inhibitor
CAS Number
1309357-15-0
Product Name Alternative
5-((3-chlorocyclohexyl)amino)benzo[c][2,6]naphthyridine-8-carboxylate
Field of Research
PI3K Akt mTOR Signaling CK2
Purity
0.98
Solubility
≥44.2 mg/mL in DMSO; ≥4.45 mg/mL in EtOH with ultrasonic; ≥22.55 mg/mL in H2O with ultrasonic
Smiles
[O-]C(C1=CC=C2C(N=C(NC3CC(Cl)CCC3)C4=C2C=NC=C4)=C1)=O
Molecular Formula
C19H11ClN3NaO2
Molecular Weight
371.75
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Silmitasertib Sodium

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 Number1309357-15-0
PubChem CID49788959
IUPAC Namesodium 5-(3-chloroanilino)benzo[c][2,6]naphthyridine-8-carboxylate
Molecular FormulaC19H11ClN3NaO2
Molecular Weight371.7
Topological Polar Surface Area77.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity497
SMILES
C1=CC(=CC(=C1)Cl)NC2=NC3=C(C=CC(=C3)C(=O)[O-])C4=C2C=CN=C4.[Na+]
InChI
InChI=1S/C19H12ClN3O2.Na/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18;/h1-10H,(H,22,23)(H,24,25);/q;+1/p-1
InChIKey
ODDAAPQSODILSN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Silmitasertib Sodium
CAS: 1309357-15-0
CID: 49788959
Formula: C19H11ClN3NaO2
MW: 371.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass371.0437486
Monoisotopic Mass371.0437486
Topological Polar Surface Area77.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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