Physicochemical Properties
| Molecular Formula | C13H11CL2N3O4 |
| Molecular Weight | 344.150141000748 |
| Exact Mass | 343.012 |
| CAS # | 2245942-72-5 |
| PubChem CID | 135348858 |
| Appearance | White to off-white solid powder |
| LogP | 2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 22 |
| Complexity | 413 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1=C(C=CC(=C1)C(NCCC1=CC(C(NO)=O)=NO1)=O)Cl |
| InChi Key | JFGOILLZIAIYGA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H11Cl2N3O4/c14-9-2-1-7(5-10(9)15)12(19)16-4-3-8-6-11(18-22-8)13(20)17-21/h1-2,5-6,21H,3-4H2,(H,16,19)(H,17,20) |
| Chemical Name | 5-(2-(3,4-Dichlorobenzamido)ethyl)-N-hydroxyisoxazole-3-carboxamide |
| Synonyms | SS-208 SS 208 SS208 |
| 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 Note: This product is not stable in solution, please use freshly prepared working solution for optimal results. |
| 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 Vivo | SS-208 (25 mg/kg, intraperitoneal injection) effectively inhibits tumor growth in a mouse model of melanoma [1]. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 mice were injected subcutaneously (sc) (sc) with immunogenic murine SM1 melanoma cells [1]. Doses: 25 mg/kg. Doses: intraperitoneal (ip) injection on days 4, 7, 12, 15 and 18 Experimental Results: Significant reduction in tumor growth. |
| References |
[1]. Discovery of a New Isoxazole-3-hydroxamate-Based Histone Deacetylase 6 Inhibitor SS-208 with Antitumor Activity in Syngeneic Melanoma Mouse Models. J Med Chem. 2019 Sep 4. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~125 mg/mL (~363.21 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.04 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 20.8 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: ≥ 2.08 mg/mL (6.04 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 20.8 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: ≥ 2.08 mg/mL (6.04 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 | 2.9057 mL | 14.5285 mL | 29.0571 mL | |
| 5 mM | 0.5811 mL | 2.9057 mL | 5.8114 mL | |
| 10 mM | 0.2906 mL | 1.4529 mL | 2.9057 mL |