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| Targets |
MAL2-11B targets the molecular chaperone function and ATPase activity of the SV40 T antigen (TAg). It inhibits Hsp70 co-chaperone DNAJA1 and acts as a blocker of Hsp40-Hsp70 binding. By disrupting the Hsp40-Hsp70 interaction, MAL2-11B inhibits the chaperone activity of the Hsp70-Hsp40 system. It also inhibits TAg's endogenous ATPase activity and TAg-mediated activation of Hsp70.
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| ln Vitro |
116-9e (MAL2-11B) dramatically reduces viral replication and DNA synthesis by inhibiting TAg activation of Hsp70 more effectively than MAL3-101. Furthermore, the TAg ATPase domain's activity is inhibited by MAL2-11B [1]. Significantly lower BK virus in human cell kidney lines is observed with 116-9e (MAL2-11B); 15 μM; 5 days) [1].
In vitro, MAL2-11B dramatically reduces viral replication and DNA synthesis by inhibiting TAg activation of Hsp70 more effectively than MAL3-101. The TAg ATPase domain's activity is inhibited by MAL2-11B. In human kidney cell lines, significantly lower BK virus levels are observed with MAL2-11B treatment (15 μM; 5 days). The compound shows potent antiviral activity against SV40 and related polyomaviruses. |
| ln Vivo |
In vivo activity data for MAL2-11B is limited in publicly available sources. As an inhibitor of SV40 replication, its primary application is in cell-based antiviral research. The compound's mechanism of action suggests potential activity against polyomavirus infections in vivo, but specific animal model data has not been reported. MAL2-11B is also described as a precursor to MAL3-101.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays for MAL2-11B include ATPase activity assays to measure inhibition of TAg's endogenous ATPase activity. TAg protein is incubated with varying concentrations of the compound, and ATP hydrolysis is measured using a colorimetric or luminescent ATPase assay. IC₅₀ values are calculated from dose-response curves. Hsp70-Hsp40 binding assays may also be used to assess inhibition of chaperone complex formation.
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| Cell Assay |
In vitro cellular experiments are performed using human kidney cell lines infected with BK virus or other polyomaviruses. Cells are treated with MAL2-11B at concentrations such as 15 μM for 5 days. Viral replication and DNA synthesis are measured using qPCR, plaque assays, or incorporation of labeled nucleotides. Cytotoxicity is assessed to determine the selectivity of antiviral activity.
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| Animal Protocol |
In vivo animal studies for MAL2-11B have not been extensively reported in publicly available literature. As a research tool for studying SV40 replication and Hsp70 chaperone function, the compound is primarily used in cell-based assays. Animal model studies would involve polyomavirus infection models, but specific protocols are not available.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for MAL2-11B is not available in publicly accessible sources. The compound has a molecular weight of 512.6 g/mol (C₃₁H₃₂N₂O₅). It is soluble in DMSO. Storage conditions: powder at -20°C for 3 years; in solvent at -80°C for 6 months. LogP is 5.66.
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| Toxicity/Toxicokinetics |
Toxicological data for MAL2-11B is limited. As a small molecule inhibitor, it should be handled with standard laboratory safety precautions. No specific toxicity data or LD₅₀ values are reported. The compound has shown no significant cytotoxicity at concentrations effective for antiviral activity in cell-based assays.
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| References |
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| Additional Infomation |
MAL2-11B (116-9e) is a dihydropyrimidine-based small molecule and a selective blocker of Hsp40-Hsp70 complex assembly. It inhibits SV40 replication and DNA synthesis by targeting TAg's ATPase activity and Hsp70 chaperone function. The compound is also described as a MAL3-101 precursor. This product is for research purposes only and not for human therapeutic use.
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| Molecular Formula |
C31H32N2O5
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| Molecular Weight |
512.6
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| Exact Mass |
512.231
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| CAS # |
831217-43-7
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| Related CAS # |
831217-43-7;
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| PubChem CID |
5461634
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| Appearance |
White to yellow solid powder
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| LogP |
5.66
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
38
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| Complexity |
835
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
GHFQWLNXJMUCGC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C31H32N2O5/c1-22-28(30(36)38-21-23-11-5-2-6-12-23)29(32-31(37)33(22)20-10-4-9-15-27(34)35)26-18-16-25(17-19-26)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,29H,4,9-10,15,20-21H2,1H3,(H,32,37)(H,34,35) SMILES
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| Chemical Name |
4-[1,1'-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-Pyrimidinehexanoic acid
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| Synonyms |
MAL2-11B MAL2 11B MAL211B MAL 2 11B MAL-2-11B116-9e 116 9e
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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 : ~100 mg/mL (~195.08 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.88 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 (4.88 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 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: ≥ 2.5 mg/mL (4.88 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9508 mL | 9.7542 mL | 19.5084 mL | |
| 5 mM | 0.3902 mL | 1.9508 mL | 3.9017 mL | |
| 10 mM | 0.1951 mL | 0.9754 mL | 1.9508 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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