Physicochemical Properties
| Molecular Formula | C32H32O15 |
| Molecular Weight | 656.58748 |
| Exact Mass | 656.174 |
| CAS # | 17817-20-8 |
| PubChem CID | 122063 |
| Appearance | Yellow to orange solid powder |
| Density | 1.74 g/cm3 |
| Boiling Point | 974.8ºC at 760 mmHg |
| Melting Point | 200-203ºC (dec.) |
| Flash Point | 316.5ºC |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.764 |
| LogP | -0.2 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 47 |
| Complexity | 1050 |
| Defined Atom Stereocenter Count | 10 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)OC6=C3C=CC(=C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O |
| InChi Key | ZTOBILYWTYHOJB-WBCGDKOGSA-N |
| InChi Code | InChI=1S/C32H32O15/c33-11-21-23(35)25(37)27(39)30(45-21)42-13-5-7-17-19(9-13)44-20-10-14(43-31-28(40)26(38)24(36)22(12-34)46-31)6-8-18(20)32(17)16-4-2-1-3-15(16)29(41)47-32/h1-10,21-28,30-31,33-40H,11-12H2/t21-,22-,23+,24+,25+,26+,27-,28-,30-,31-/m1/s1 |
| Chemical Name | 3',6'-bis[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]spiro[2-benzofuran-3,9'-xanthene]-1-one |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). 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 Vitro | Fluorescein di(β-D-galactopyranoside) yielded more fluorescein in a dose- and time-dependent manner. The fluorescein di(β-D-galactopyranoside) method yields significantly higher fluorescein levels than the dual substrate method. The method of fluorescein di(β-D-galactopyranoside) yields fluorescein di(β-D-galactopyranoside). In Hs68 cells, the amount of fluorescein generated by galactopyranoside is directly correlated with the passage number [1]. |
| References |
[1]. A fluorimetric method using fluorescein di-beta-D-galactopyranoside for quantifying the senescence-associated beta-galactosidase activity in human foreskin fibroblast Hs68 cells. Anal Biochem. 2004 Feb 15;325(2):337-43. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~5.56 mg/mL (~8.47 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 0.56 mg/mL (0.85 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 5.6 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: ≥ 0.56 mg/mL (0.85 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 5.6 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.5230 mL | 7.6151 mL | 15.2302 mL | |
| 5 mM | 0.3046 mL | 1.5230 mL | 3.0460 mL | |
| 10 mM | 0.1523 mL | 0.7615 mL | 1.5230 mL |