Physicochemical Properties
| Molecular Formula | C20H16BRNO5S |
| Molecular Weight | 462.313743591309 |
| Exact Mass | 460.993 |
| CAS # | 324022-08-4 |
| PubChem CID | 1014327 |
| Appearance | White to light yellow solid powder |
| LogP | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 28 |
| Complexity | 691 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | SSARAOHVKXASDW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H16BrNO5S/c1-13(23)22(17-8-10-20(19(21)12-17)27-14(2)24)28(25,26)18-9-7-15-5-3-4-6-16(15)11-18/h3-12H,1-2H3 |
| Chemical Name | [4-[acetyl(naphthalen-2-ylsulfonyl)amino]-2-bromophenyl] acetate |
| 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 | In HEK293T cells, EBNA1-IN-SC7 (Compound SC7) (5 µM) completely inhibits Zta (EBV-encoded b-zip DNA-binding protein) transactivation and completely blocks EBNA1 transcriptional activation [2]. In Raji Burkitt lymphoma cells, EBNA1-IN-SC7 (Compound SC7) (10 µM, 6 days) had no discernible effect on the number of copies of the EBV genome [2]. |
| References |
[1]. EBNA1-targeted inhibitors: Novel approaches for the treatment of Epstein-Barr virus-associated cancers. Theranostics. 2018 Oct 22;8(19):5307-5319. [2]. Discovery of selective inhibitors against EBNA1 via high throughput in silico virtual screening. PLoS One. 2010 Apr 12;5(4):e10126. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~216.31 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.41 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 (5.41 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 (5.41 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 | 2.1631 mL | 10.8153 mL | 21.6305 mL | |
| 5 mM | 0.4326 mL | 2.1631 mL | 4.3261 mL | |
| 10 mM | 0.2163 mL | 1.0815 mL | 2.1631 mL |