Silmitasertib sodium | CAS# 1309357-15-0 (Na+) | small-molecule inhibitor of CK2

MedKoo Cat#: 413395 | Name: Silmitasertib sodium

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Silmitasertib sodium is an orally bioavailable small-molecule inhibitor of CK2 with potential antineoplastic activity. Silmitasertib selectively binds to and inhibits the enzyme casein kinase II (CK2), which may lead to an inhibition of cellular proliferation. CK2, a protein kinase often overexpressed in a variety of cancer cell types, appears to be correlated with malignant transformation, tumor growth and survival.

Chemical Structure

Silmitasertib sodium

CAS#1309357-15-0 (sodium)

Theoretical Analysis

MedKoo Cat#: 413395

Name: Silmitasertib sodium

CAS#: 1309357-15-0 (sodium)

Chemical Formula: C19H11ClN3NaO2

Exact Mass: 0.0000

Molecular Weight: 371.76

Elemental Analysis: C, 61.39; H, 2.98; Cl, 9.54; N, 11.30; Na, 6.18; O, 8.61

Price and Availability

Size	Price	Availability
50mg	USD 550.00	2 Weeks
100mg	USD 950.00	2 Weeks
200mg	USD 1,650.00	2 Weeks
500mg	USD 3,250.00	2 Weeks
1g	USD 4,650.00	2 Weeks

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Related CAS #

1009820-21-6 (free acid) 1309357-15-0 (sodium)

Synonym

Silmitasertib sodium; CX4945 ; CX 4945 ; CX-4945

IUPAC/Chemical Name

5-((3-Chlorophenyl)amino)-benzo(C)-2,6-naphthyridine-8-carboxylic acid sodium salt

InChi Key

ODDAAPQSODILSN-UHFFFAOYSA-M

InChi Code

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

SMILES Code

O=C(C1=CC=C2C(N=C(NC3=CC=CC(Cl)=C3)C4=C2C=NC=C4)=C1)[O-].[Na+]

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO and water

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

Silmitasertib sodium is a highly selective and potent CK2 inhibitor, with IC50 values of 1 nM against CK2α and CK2α'.

In vitro activity:

CK2 inhibition with silmitasertib impairs normal cellular energy metabolism and may be an attractive therapy for treating aggressive squamous cell carcinoma of the head and neck (SCCHN). Silmitasertib impeded cellular metabolism in aggressive SCCHN cells and dose-dependent lipid droplet accumulation and non-apoptotic cell death were observed. The repressive phosphorylation of the lipogenic enzyme ACC (associated with CK2) was removed by silmitasertib. Reference: J Oral Pathol Med. 2023 Mar;52(3):245-254. https://pubmed.ncbi.nlm.nih.gov/36273268/

In vivo activity:

Silmitasertib is the first orally bioavailable small molecule inhibitor of CK2 to advance into human clinical trials, creating a novel treatment pathway for cancer. When administered orally in murine xenograft models, silmitasertib was well tolerated and demonstrated robust antitumor activity with concomitant reductions of the mechanism-based biomarker phospho-p21 (T145). Reference: Cancer Res. 2010 Dec 15;70(24):10288-98. https://pubmed.ncbi.nlm.nih.gov/21159648/

	Solvent	mg/mL	mM
Solubility
	DMSO	16.7	44.84
	Water	6.7	17.94

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 371.76 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Zakharia K, Miyabe K, Wang Y, Wu D, Moser CD, Borad MJ, Roberts LR. Preclinical In Vitro and In Vivo Evidence of an Antitumor Effect of CX-4945, a Casein Kinase II Inhibitor, in Cholangiocarcinoma. Transl Oncol. 2019 Jan;12(1):143-153. doi: 10.1016/j.tranon.2018.09.005. Epub 2018 Oct 11. PMID: 30316146; PMCID: PMC6187100. 2. Siddiqui-Jain A, Drygin D, Streiner N, Chua P, Pierre F, O'Brien SE, Bliesath J, Omori M, Huser N, Ho C, Proffitt C, Schwaebe MK, Ryckman DM, Rice WG, Anderes K. CX-4945, an orally bioavailable selective inhibitor of protein kinase CK2, inhibits prosurvival and angiogenic signaling and exhibits antitumor efficacy. Cancer Res. 2010 Dec 15;70(24):10288-98. doi: 10.1158/0008-5472.CAN-10-1893. PMID: 21159648. 3. Liu P, Chen W, Kang Y, Wang C, Wang X, Liu W, Hayashi T, Qiu Z, Mizuno K, Hattori S, Fujisaki H, Ikejima T. Silibinin ameliorates STING-mediated neuroinflammation via downregulation of ferroptotic damage in a sporadic Alzheimer's disease model. Arch Biochem Biophys. 2023 Aug;744:109691. doi: 10.1016/j.abb.2023.109691. Epub 2023 Jul 18. PMID: 37473980. 4. Ain QU, Saleem U, Ahmad B, Khalid I. Pharmacological screening of silibinin for antischizophrenic activity along with its acute toxicity evaluation in experimental animals. Front Pharmacol. 2023 Feb 2;14:1111915. doi: 10.3389/fphar.2023.1111915. PMID: 36817163; PMCID: PMC9936411.

In vitro protocol:

In vivo protocol:

1. Liu P, Chen W, Kang Y, Wang C, Wang X, Liu W, Hayashi T, Qiu Z, Mizuno K, Hattori S, Fujisaki H, Ikejima T. Silibinin ameliorates STING-mediated neuroinflammation via downregulation of ferroptotic damage in a sporadic Alzheimer's disease model. Arch Biochem Biophys. 2023 Aug;744:109691. doi: 10.1016/j.abb.2023.109691. Epub 2023 Jul 18. PMID: 37473980. 2. Ain QU, Saleem U, Ahmad B, Khalid I. Pharmacological screening of silibinin for antischizophrenic activity along with its acute toxicity evaluation in experimental animals. Front Pharmacol. 2023 Feb 2;14:1111915. doi: 10.3389/fphar.2023.1111915. PMID: 36817163; PMCID: PMC9936411.

1: Silva-Pavez E, Villar P, Trigo C, Caamaño E, Niechi I, Pérez P, Muñoz JP, Aguayo F, Burzio VA, Varas-Godoy M, Castro AF, Colombo MI, Tapia JC. CK2 inhibition with silmitasertib promotes methuosis-like cell death associated to catastrophic massive vacuolization of colorectal cancer cells. Cell Death Dis. 2019 Jan 25;10(2):73. doi: 10.1038/s41419-019-1306-x. PMID: 30683840; PMCID: PMC6347595. 2: Zhong B, Campagne O, Salloum R, Purzner T, Stewart CF. LC-MS/MS method for quantitation of the CK2 inhibitor silmitasertib (CX-4945) in human plasma, CSF, and brain tissue, and application to a clinical pharmacokinetic study in children with brain tumors. J Chromatogr B Analyt Technol Biomed Life Sci. 2020 Sep 1;1152:122254. doi: 10.1016/j.jchromb.2020.122254. Epub 2020 Jun 23. PMID: 32615532; PMCID: PMC7484447. 3: Wang H, Lv Q, Xu Y, Cai Z, Zheng J, Cheng X, Dai Y, Jänne PA, Ambrogio C, Köhler J. An integrative pharmacogenomics analysis identifies therapeutic targets in KRAS-mutant lung cancer. EBioMedicine. 2019 Nov;49:106-117. doi: 10.1016/j.ebiom.2019.10.012. Epub 2019 Oct 23. PMID: 31668570; PMCID: PMC6945285. 4: Estrada E. Protein-driven mechanism of multiorgan damage in COVID-19. Med Drug Discov. 2020 Oct 20:100069. doi: 10.1016/j.medidd.2020.100069. Epub ahead of print. PMID: 33103107; PMCID: PMC7572300. 5: Pinto MC, Schreiber R, Lerias J, Ousingsawat J, Duarte A, Amaral M, Kunzelmann K. Regulation of TMEM16A by CK2 and Its Role in Cellular Proliferation. Cells. 2020 May 5;9(5):1138. doi: 10.3390/cells9051138. PMID: 32380794; PMCID: PMC7291285. 6: Korb E, Herre M, Zucker-Scharff I, Gresack J, Allis CD, Darnell RB. Excess Translation of Epigenetic Regulators Contributes to Fragile X Syndrome and Is Alleviated by Brd4 Inhibition. Cell. 2017 Sep 7;170(6):1209-1223.e20. doi: 10.1016/j.cell.2017.07.033. Epub 2017 Aug 17. PMID: 28823556; PMCID: PMC5740873. 7: Ahamad S, Gupta D, Kumar V. Targeting SARS-CoV-2 nucleocapsid oligomerization: Insights from molecular docking and molecular dynamics simulations. J Biomol Struct Dyn. 2020 Nov 3:1-14. doi: 10.1080/07391102.2020.1839563. Epub ahead of print. PMID: 33140703; PMCID: PMC7663461. 8: Krämer A, Kurz CG, Berger BT, Celik IE, Tjaden A, Greco FA, Knapp S, Hanke T. Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor. Eur J Med Chem. 2020 Dec 15;208:112770. doi: 10.1016/j.ejmech.2020.112770. Epub 2020 Aug 23. PMID: 32883634. 9: Siddiqui-Jain A, Drygin D, Streiner N, Chua P, Pierre F, O'Brien SE, Bliesath J, Omori M, Huser N, Ho C, Proffitt C, Schwaebe MK, Ryckman DM, Rice WG, Anderes K. CX-4945, an orally bioavailable selective inhibitor of protein kinase CK2, inhibits prosurvival and angiogenic signaling and exhibits antitumor efficacy. Cancer Res. 2010 Dec 15;70(24):10288-98. doi: 10.1158/0008-5472.CAN-10-1893. PMID: 21159648. 10: Silva-Pavez E, Tapia JC. Protein Kinase CK2 in Cancer Energetics. Front Oncol. 2020 Jun 18;10:893. doi: 10.3389/fonc.2020.00893. PMID: 32626654; PMCID: PMC7315807.

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Description:

Chemical Structure

Theoretical Analysis

Price and Availability

Preparing Stock Solutions

View History

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