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| Targets |
MB710 specifically targets the oncogenic p53 mutant Y220C. The Y220C mutation creates a surface crevice in the p53 DNA-binding domain that destabilizes the protein. MB710 binds tightly to this mutation-induced Y220C pocket with a dissociation constant (Kd) of 4.1 μM. By occupying this cavity, MB710 prevents the conformational changes that lead to protein misfolding and aggregation. The stabilized p53-Y220C protein regains its transcriptional activity and can bind to the promoter regions of its target genes. MB710 shows specificity for the Y220C mutant and displays anticancer activity in p53-Y220C cell lines.
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| ln Vitro |
At concentrations up to 60 μM, MB710 (0-200 μM; 72 hours) shown comparatively minimal toxicity against all cell lines examined, but at higher concentrations, it first showed signs of decreasing viability [1]. IC50 values of 90, 120, >120, and >120 μM for the cancer cell lines NugC3, NugC4, WI38, and SW1088 were obtained after treatment [1]. MB710 (0-120 μM) in p53-Y220C for 72 hours in HUH-7 cells
In vitro, MB710 demonstrates potent stabilization of the p53-Y220C mutant protein with a Kd of 4.1 μM. In cell viability assays, MB710 (0-200 μM, 72 hours) shows relatively low toxicity against all tested cell lines at concentrations up to 60 μM. The compound exhibits differential cytotoxicity depending on the p53 status of cell lines, with the most sensitive being NUGC3 cells (mutant p53 Y220C, IC₅₀ = 90 μM), followed by NUGC4 cells (p53 wild-type, IC₅₀ = 120 μM), while WI38 and SW1088 cells show IC₅₀ values >120 μM. In p53-Y220C expressing HUH-7 cells, MB710 (0-120 μM, 72 hours) shows enhanced cytotoxic effects compared to cells without the mutation. |
| ln Vivo |
In vivo activity data for MB710 is limited in publicly available sources. The compound has been developed as a research tool to explore p53-Y220C stabilization as a therapeutic strategy. Based on its mechanism of action, MB710 would be expected to inhibit tumor growth in xenograft models carrying the p53-Y220C mutation by reactivating the p53 signaling pathway and inducing apoptosis. The compound's in vivo efficacy would depend on its pharmacokinetic properties and ability to reach the tumor tissue. However, specific animal model data and dosing regimens have not been extensively reported in the available literature.
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| Enzyme Assay |
Non-cellular assays for MB710 involve binding affinity measurements using biophysical techniques such as surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) to determine the Kd value for the p53-Y220C interaction. The compound is typically tested at a range of concentrations (e.g., 0-200 μM) to generate binding curves. Additional assays include protein thermal shift assays to assess the stabilization of p53-Y220C by MB710. The compound's ability to prevent aggregation of the mutant protein can be evaluated using light scattering or other biophysical methods.
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| Cell Assay |
cell viability assay [1]
Cell Types: NUGC3 (mutant p53 Y220C), HUH-7 (mutant p53 Y220C), NUGC4 (p53 WT), Exhibits stronger cytotoxic effects in the presence of HUH-6 [1]. Cells (p53 WT) Tested Concentrations: 0-200 μM Incubation Duration: 72 hrs (hours) Experimental Results: Relatively low toxicity was shown for all cell lines tested at concentrations up to 60 μM. NUGC3 was the most sensitive cell line. In vitro cellular experiments involve culturing cancer cell lines with different p53 statuses, including NUGC3 (mutant p53 Y220C), HUH-7 (mutant p53 Y220C), NUGC4 (p53 WT), and HUH-6 cells (p53 WT). Cells are treated with MB710 at concentrations ranging from 0 to 200 μM for 72 hours. Cell viability is measured using standard assays such as MTT or CellTiter-Glo. Changes in p53 protein levels and downstream target gene expression (e.g., p21, PUMA) are assessed by Western blot and qRT-PCR after 24-48 hours of treatment. |
| Animal Protocol |
In vivo animal studies for MB710 would typically involve tumor xenograft models using cell lines harboring the p53-Y220C mutation, such as NUGC3 cells. Immunocompromised mice bearing tumors are treated with MB710 via appropriate routes of administration. Tumor volume is measured over time to assess antitumor efficacy. Pharmacodynamic markers such as p53 target gene expression and apoptosis in tumor tissues can be analyzed. However, specific protocols and dosing regimens are not detailed in publicly available sources.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for MB710 is limited. The compound has a molecular weight of 457.29 g/mol and a molecular formula of C₁₆H₁₆IN₃O₃S. It is soluble in DMSO (80 mg/mL) and has a solubility of 16.67 mg/mL in vitro. For storage, the powder should be kept at -20°C for up to 3 years, and solutions at -80°C for 1 year. Specific PK parameters such as half-life, bioavailability, and tissue distribution have not been reported.
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| Toxicity/Toxicokinetics |
Specific toxicity data for MB710 is limited in publicly available sources. In cell-based assays, the compound shows relatively low toxicity against all tested cell lines at concentrations up to 60 μM. At higher concentrations, selective viability reduction is observed in p53-Y220C mutant cells. The compound is for research use only and should be handled with appropriate safety precautions. No LD₅₀ or specific toxicity information has been reported.
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| References | |
| Additional Infomation |
MB710 (also known as MB-710) is a small-molecule stabilizer of the oncogenic p53-Y220C mutant protein. It is an aminobenzothiazole derivative that binds to the mutation-induced crevice in the p53 DNA-binding domain with a Kd of 4.1 μM. The compound shows anticancer activity in p53-Y220C cell lines and is used as a research tool for studying p53 biology and developing targeted cancer therapies. MB710 is for research purposes only and is not for human therapeutic use. The compound is referenced in the literature, including Baud MGJ, et al. Eur J Med Chem. 2018 May 25;152:101-114.
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| Molecular Formula |
C16H16IN3O3S
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| Molecular Weight |
457.286014556885
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| Exact Mass |
456.995
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| CAS # |
2230044-57-0
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| PubChem CID |
133082032
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| Appearance |
Light yellow to green yellow solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
24
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| Complexity |
462
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| Defined Atom Stereocenter Count |
0
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| SMILES |
IC1C(=C(C(=O)O)C2=C(C=1N1C=CC=C1)SC(=N2)N(CC)CC)O
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| InChi Key |
SEBJATZOIHUGAU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)
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| Chemical Name |
2-(diethylamino)-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
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| Synonyms |
MB710; MB 710; MB-710
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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 : ~16.67 mg/mL (~36.45 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 1.25 mg/mL (2.73 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 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: 1.25 mg/mL (2.73 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 12.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1868 mL | 10.9340 mL | 21.8680 mL | |
| 5 mM | 0.4374 mL | 2.1868 mL | 4.3736 mL | |
| 10 mM | 0.2187 mL | 1.0934 mL | 2.1868 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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