PKM2 activator 2, pyruvate kinase M2 (PKM2) activitor with anti-tumor activity. It activates PKM2 with an AC50 value of 66 nM.
Physicochemical Properties
| Molecular Formula | C20H18F2N2O4S2 |
| Molecular Weight | 452.49472951889 |
| Exact Mass | 452.067 |
| CAS # | 1186660-06-9 |
| PubChem CID | 25243723 |
| Appearance | White to off-white solid powder |
| LogP | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 30 |
| Complexity | 794 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N1(S(C2=C(F)C=CC=C2F)(=O)=O)CCN(S(C2=CC=C3C(=C2)C=CC=C3)(=O)=O)CC1 |
| InChi Key | LLOHMBFPOYWAIL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H18F2N2O4S2/c21-18-6-3-7-19(22)20(18)30(27,28)24-12-10-23(11-13-24)29(25,26)17-9-8-15-4-1-2-5-16(15)14-17/h1-9,14H,10-13H2 |
| Chemical Name | 1-(2,6-difluorophenyl)sulfonyl-4-naphthalen-2-ylsulfonylpiperazine |
| 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 | PKM2 causes an increase in the availability of glycolytic intermediates, which are necessary for the production of lipids, amino acids, and nucleic acids—the building blocks of cells—in cancer cells. On the other hand, tumors and cancer cell lines show downregulated expression of PKM2 and its dimeric form [1]. In a luciferase-coupled test, PKM2 Activator 2 (Compound 28) has an AC50 value of 66 nM, making it a highly potent activator of pyruvate kinase [1]. |
| References |
[1]. Evaluation of substituted N,N'-diarylsulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase. J Med Chem. 2010 Feb 11;53(3):1048-55. |
| Additional Infomation | 1-(2,6-difluorophenyl)sulfonyl-4-(2-naphthalenylsulfonyl)piperazine is a sulfonic acid derivative and a member of naphthalenes. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~5 mg/mL (~11.05 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.60 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 20.8 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 | 2.2100 mL | 11.0500 mL | 22.0999 mL | |
| 5 mM | 0.4420 mL | 2.2100 mL | 4.4200 mL | |
| 10 mM | 0.2210 mL | 1.1050 mL | 2.2100 mL |