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Purity: ≥98%
MN58b (MN 58b bromide; MN58b; MN-58b) is a novel, potent and selective Choline kinase α (CHKα) inhibitor with anticancer activities. It causes apoptosis and blocks choline kinase, which prevents the synthesis of phosphocholine. With IC50 values of 3.14 µM and 0.77 µM, respectively, MN58b inhibits both parental and gemcitabine-resistant Suit2 007 cells. It also exhibits strong antiproliferative and antitumor bioactivity.
| Targets |
Choline kinase α (CHKα)
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|---|---|
| ln Vitro |
MN58b had an IC50 of 3.14 μM against parental Suit2 007 cells and 0.77 μM against gemcitabine-conjugated cells [1]. At 1 μM and 5 μM growth, MN58b (1-5 μM; 72 hours; SK-PC-1, Suit2 008, IMIM-PC2, and RWP-1 cells) significantly affected colony formation in all cell lines[1]. SK-PC-1, Suit2 008, IMIM; MN58b ((1-10 μM; 24-48 hours)
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| ln Vivo |
In HT29 and MDA-MB-231 xenografts, treatment with MN58b (4 mg/kg; i.p.; once daily; for 5 days; MF-1 nude mice) dramatically decreased phosphomonoesters. It was discovered that the phosphocholine level and bile
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: SK-PC-1, Suit2 008, IMIM-PC2, and RWP-1 - PC2 and RWP-1 cells) induced cells, a response that correlated with CHKα expression [1]. Cell Tested Concentrations: 1 µM, 5 µM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibition of cell growth. Apoptosis analysis [1] Cell Types: SK -PC-1, Suit2 008, IMIM-PC2 and RWP-1 Cell Tested Concentrations: 1 µM, 2 µM, 5 µM, 10 µM Incubation Duration: 24 and 48 hrs (hours) Experimental Results: Induction of apoptosis. |
| Animal Protocol |
Animal/Disease Models: MF-1 nude mice with HT29 or MDA-MB-231 cells [2]
Doses: 4 mg/kg Route of Administration: intraperitoneal (ip) injection; base inhibitor activity [2]. one time/day; for 5 days. Experimental Results: Phosphate monoesters diminished Dramatically. |
| References |
[1]. Mazarico JM, et al. Choline Kinase Alpha (CHKα) as a Therapeutic Target in Pancreatic Ductal Adenocarcinoma: Expression, Predictive Value, and Sensitivity to Inhibitors. Mol Cancer Ther. 2016 Feb;15(2):323-33.
[2]. Al-Saffar NM, et al. Noninvasive magnetic resonance spectroscopic pharmacodynamic markers of the choline kinase inhibitor MN58b in human carcinoma models. Cancer Res. 2006 Jan 1;66(1):427-34. |
| Molecular Formula |
C₃₂H₄₀BR₂N₄
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|---|---|
| Molecular Weight |
640.49
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| Exact Mass |
640.15992
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| Elemental Analysis |
C, 60.01; H, 6.30; Br, 24.95; N, 8.75
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| CAS # |
203192-01-2
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| Related CAS # |
203192-01-2 (bromide);730930-74-2 (cation);
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| Appearance |
Solid powder
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| SMILES |
CN(C)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)CCCCC3=CC=C(C=C3)C[N+]4=CC=C(C=C4)N(C)C.[Br-].[Br-]
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| InChi Key |
YLHINOUDZGYMNO-UHFFFAOYSA-L
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| InChi Code |
InChI=1S/C32H40N4.2BrH/c1-33(2)31-17-21-35(22-18-31)25-29-13-9-27(10-14-29)7-5-6-8-28-11-15-30(16-12-28)26-36-23-19-32(20-24-36)34(3)4;;/h9-24H,5-8,25-26H2,1-4H3;2*1H/q+2;;/p-2
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| Chemical Name |
1-[[4-[4-[4-[[4-(dimethylamino)pyridin-1-ium-1-yl]methyl]phenyl]butyl]phenyl]methyl]-N,N-dimethylpyridin-1-ium-4-amine;dibromide
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| Synonyms |
MN58b bromide; MN 58b; MN 58b; N58b
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ~14.7 mg/mL (~23 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.47 mg/mL (2.30 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.7 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 1.47 mg/mL (2.30 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 14.7 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5613 mL | 7.8065 mL | 15.6130 mL | |
| 5 mM | 0.3123 mL | 1.5613 mL | 3.1226 mL | |
| 10 mM | 0.1561 mL | 0.7807 mL | 1.5613 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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