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MAL2-11B (116-9e) is a novel and potent inhibitor of Simian Virus 40 replication by acting as a blocker of Hsp40-Hsp70 binding thereby inhibiting the chaperone activity of Hsp70-Hsp40. It works by targeting the molecular chaperone function and ATPase activity of T antigen. MAL2-11B is also a MAL3-101 precursor.
Physicochemical Properties
| Molecular Formula | C31H32N2O5 |
| Molecular Weight | 512.6 |
| Exact Mass | 512.231 |
| CAS # | 831217-43-7 |
| Related CAS # | 831217-43-7; |
| PubChem CID | 5461634 |
| Appearance | White to yellow solid powder |
| LogP | 5.66 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 38 |
| Complexity | 835 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | GHFQWLNXJMUCGC-UHFFFAOYSA-N |
| 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 |
| Chemical Name | 4-[1,1'-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-Pyrimidinehexanoic acid |
| Synonyms | MAL2-11B MAL2 11B MAL211B MAL 2 11B MAL-2-11B116-9e 116 9e |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| 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]. |
| References |
[1]. Inhibition of Simian Virus 40 replication by targeting the molecular chaperone function and ATPase activity of T antigen. Virus Res. 2009 Apr;141(1):71-80. [2]. Chemogenomic screening identifies the Hsp70 co-chaperone DNAJA1 as a hub for anticancer drug resistance. Sci Rep. 2020 Aug 14;10(1):13831. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~195.08 mM) |
| 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. 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. 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 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 | 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 |