Physicochemical Properties
| Molecular Formula | C31H34F2N4O18 |
| Molecular Weight | 788.61 |
| Exact Mass | 788.183 |
| CAS # | 2629250-69-5 |
| PubChem CID | 162642741 |
| Appearance | White to off-white solid powder |
| LogP | 0.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 17 |
| Heavy Atom Count | 55 |
| Complexity | 1560 |
| Defined Atom Stereocenter Count | 8 |
| SMILES | O(C1C=CC(COC(=O)NC2C=CN([C@H]3C([C@H](O)[C@@H](CO)O3)(F)F)C(=O)N=2)=CC=1N(=O)=O)[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C |
| InChi Key | DLQYTWCQXUJEML-XERWOCHESA-N |
| InChi Code | InChI=1S/C31H34F2N4O18/c1-13(39)48-12-21-23(50-14(2)40)24(51-15(3)41)25(52-16(4)42)27(54-21)53-19-6-5-17(9-18(19)37(46)47)11-49-30(45)35-22-7-8-36(29(44)34-22)28-31(32,33)26(43)20(10-38)55-28/h5-9,20-21,23-28,38,43H,10-12H2,1-4H3,(H,34,35,44,45)/t20-,21-,23+,24+,25-,26-,27-,28-/m1/s1 |
| Chemical Name | [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyloxymethyl]-2-nitrophenoxy]oxan-2-yl]methyl 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 senescent cells, SSK1 (0.5 μM; 12-72 hours) stimulates the phosphorylation levels of MKK3/MKK6 and p38 MAPK. Senescent cells are eliminated by SSK1 through the p38 MAPK signaling pathway. In senescent cells, SSK1 can cause damage to the mitochondrial DNA [1]. SSK1 (0.01-1 μM; 3 days) effectively and selectively removes β-galactosidase-positive senescent cells within a wide processing window [1]. |
| ln Vivo | In rats with lung damage, SSK1 (0.5 mg/kg; intraperitoneal injection; two days per week; for four weeks) lowers aging-related indicators and removes senescent cells [1]. SSK1 (0.5 mg/kg; 3 days every 2 weeks for 8 weeks) attenuates low-grade local and systemic inflammation, successfully clears senescent cells in various organs, and decreases senescence and age-related genetic markers in mice (20 months of age) [1]. |
| Cell Assay |
Cell Proliferation Assay[1] Cell Types: Primary mouse fibroblasts Tested Concentrations: 0.5 µM Incubation Duration: 12 hrs (hours), 24 hrs (hours), 36 hrs (hours), 48 hrs (hours), 72 hrs (hours) Experimental Results: Both p38 MAPK and MKK3/MKK6 were activated by phosphorylation in senescent cells. |
| Animal Protocol |
Animal/Disease Models: Mice (3-6-month-old) were subjected to transtracheal injection of Bleomycin[1] Doses: 0.5 mg/kg Route of Administration: intraperitoneally (ip) injection ; two days every week; for four weeks Experimental Results: SSK1 Dramatically diminished the percentage of SA-β-gal-positive cells in lung by 3.8-fold compared with that in vehicle-treated lung-injured mice |
| References |
[1]. Elimination of senescent cells by β-galactosidase-targeted prodrug attenuates inflammation and restores physical function in aged mice. Cell Res. 2020 Jul;30(7):574-589. |
Solubility Data
| Solubility (In Vitro) | DMSO : 200 mg/mL (253.61 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (6.34 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 50.0 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: ≥ 5 mg/mL (6.34 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 50.0 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 | 1.2681 mL | 6.3403 mL | 12.6805 mL | |
| 5 mM | 0.2536 mL | 1.2681 mL | 2.5361 mL | |
| 10 mM | 0.1268 mL | 0.6340 mL | 1.2681 mL |