MN58b bromide

• CAS: 203192-01-2
• Catalog Number: ACM203192012
• Category: Inhibitors
• Molecular Weight: 640.51
• Molecular Formula: C32H40Br2N4
• Description: MN58b bromide, or MN58b, is a selective choline kinase α (CHKα) inhibitor. MN58b is a novel anticancer drug that inhibits choline kinase, resulting in inhibition of phosphocholine synthesis. Inhibition of choline kinase by MN58b resulted in altered phospholipid metabolism both in cultured tumor cells and in vivo.
• Synonyms: MN58b bromide; MN58b; MN 58b; MN 58b
• IUPAC Name: 1,1'-((butane-1,4-diylbis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridin-1-ium) bromide
• Canonical SMILES: CN(C)C1=CC=[N+](C=C1)CC2=CC=C(CCCCC3=CC=C(C[N+]4=CC=C(N(C)C)C=C4)C=C3)C=C2.[Br-].[Br-]
• InChI: 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
• InChI Key: 1,1'-((butane-1,4-diylbis(4,1-phenylene))bis(methylene))bis(4-(dimethylamino)pyridin-1-ium) bromide
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >3 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 203192-01-2 (bromide); 730930-74-2 (cation)
• Biological Target: The IC50s of MN58b for parental and Gemcitabine-resistant Suit2 007 cells are 3.14 µM and 0.77 µM, respectively.
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 60.01; H, 6.30; Br, 24.95; N, 8.75
• Exact Mass: 638.162
• HS Tariff Code: 2934.99.9001
• In Vitro Activity: RA FLS were pretreated with MN58b at various concentrations and then cultured in the presence of PDGF for 3 days or 6 days for Methyl Thiazolyl Tetrazolium (MTT) assay and BrdU assay, respectively. MN58b significantly decreased cell viability (figure 3G) and cell proliferation (figure 3H) growth in a concentration-dependent manner.; Reference: Ann Rheum Dis. 2015 Jul;74(7):1399-407. https://pubmed.ncbi.nlm.nih.gov/25274633/
• In Vivo Activity: Tumors from MDA-MB-231-bearing mice were harvested for histological assessment immediately after follow-up MRI/MRS scanning (Figure 5A). Evaluation of H&E slides (Figure 5B) showed that both MN58b (P = 0.007) and JAS239 (P = 0.01) caused significant reduction in cell density. MN58b (P = 0.026) and JAS239 (P = 0.034) treatment significantly reduced the percentage of Ki67-positive cells compared to the control group (Figure 5C). Consistent with reduced cell number and proliferation, higher caspase-3 levels (Figure 5D) were detected in MN58b (P = 0.016) and JAS239 (P = 0.015) treated tumors than in controls.; Reference: Oncotarget. 2017 Mar 7;8(10):16518-16530. https://pubmed.ncbi.nlm.nih.gov/28157707/
• Shipping: 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.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).