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| 25mg |
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| 50mg |
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Purity: ≥98%
M2I-1 (full name: Mad2 Inhibitor-1) is a first-in-class small molecule inhibitor that targets the binding of Mad2 to Cdc20, an essential protein-protein interaction (PPI) within the mitotic SAC (spindle assembly checkpoint). In FP assays, it can also suppress the Mad2-F-Mbp1 interaction. Computational and biochemical analyses revealed that M2I-1 disrupts the conformational dynamics of Mad2, which is essential for the formation of complexes with Cdc20. Research on cells showed that M2I-1 reduces the SAC response, suggesting that the substance may be active in cells. This study thus identifies the formation of the SAC-specific complex between Mad2 and Cdc20 as a protein-protein interaction that is amenable to small molecule targeting.
| Targets |
Mad2
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| ln Vitro |
M2I-1, the initial small molecule inhibitor, is crucial for preventing Mad2 from binding to Cdc20, making it a PPI within the SAC.[1]
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| ln Vivo |
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| Enzyme Assay |
M2I-1, also known as Mad2 Inhibitor-1, is a novel class of small molecule inhibitor that inhibits Mad2's binding to Cdc20, a crucial protein-protein interaction (PPI) that occurs within the mitotic spindle assembly checkpoint (SAC). The disruption of Mad2's conformational dynamics is crucial for the formation of complexes with Cdc20. In FP experiments, it can also inhibit the Mad2-F-Mbp1 interaction.
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| Cell Assay |
M2I-1 was found to interfere with Mad2's conformational dynamics, which is essential for the formation of complexes with Cdc20, based on biochemical and computational analyses. M2I-1 was found to reduce the SAC response in cellular studies, suggesting that the substance may be active in cells.
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| Animal Protocol |
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| References |
| Molecular Formula |
C19H24N4O4S
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|---|---|---|
| Molecular Weight |
404.48
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| Exact Mass |
404.151
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| Elemental Analysis |
C, 56.42; H, 5.98; N, 13.85; O, 15.82; S, 7.93
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| CAS # |
312271-03-7
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| Related CAS # |
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| PubChem CID |
2883762
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| Appearance |
Solid powder
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| Density |
1.3±0.1 g/cm3
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| Index of Refraction |
1.622
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| LogP |
5.02
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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 |
6
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| Heavy Atom Count |
28
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| Complexity |
639
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(/C(C(N1)=O)=C\C2=CC=C(N(CC(C)C)CC(C)C)C([N+]([O-])=O)=C2)NC1=S
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| InChi Key |
BWEKPQUKWLNUKX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H24N4O4S/c1-11(2)9-22(10-12(3)4)15-6-5-13(8-16(15)23(26)27)7-14-17(24)20-19(28)21-18(14)25/h5-8,11-12H,9-10H2,1-4H3,(H2,20,21,24,25,28)
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| Chemical Name |
5-[[4-[bis(2-methylpropyl)amino]-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
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| Synonyms |
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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 |
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| 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: ~80 mg/mL ( 197.78 mM)
Water: Insoluble Ethanol: Insoluble |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.18 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 25.0 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: ≥ 2.5 mg/mL (6.18 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 25.0 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. View More
Solubility in Formulation 3: 10% DMSO+40% PEG300+5% Tween-80+45% saline：≥ 2.5 mg/mL (~6.2 mM) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4723 mL | 12.3616 mL | 24.7231 mL | |
| 5 mM | 0.4945 mL | 2.4723 mL | 4.9446 mL | |
| 10 mM | 0.2472 mL | 1.2362 mL | 2.4723 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.
ACS Chem Biol.2015 Jul 17;10(7):1661-6. |
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