Physicochemical Properties
| Molecular Formula | C22H26O4 |
| Molecular Weight | 354.439446926117 |
| Exact Mass | 354.183 |
| CAS # | 1800188-47-9 |
| PubChem CID | 118204185 |
| Appearance | White to off-white solid powder |
| LogP | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 26 |
| Complexity | 479 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | IUXJXQLTUMGHHL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H26O4/c1-4-24-16-6-7-17(19(23)12-16)15-11-14-5-8-20-18(21(14)25-13-15)9-10-22(2,3)26-20/h5-8,12,15,23H,4,9-11,13H2,1-3H3 |
| Chemical Name | 2-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-5-ethoxyphenol |
| 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 Vivo | In mice fed a high-fat diet, vitigalabridin (HSG4112) completely reverses obesity in a dose-dependent manner. In obese mice generated by high-fat diet (HFD), vetiglabridin (given orally at 10, 30, or 100 mg/kg dose for 6 weeks) decreases body weight in a dose-dependent manner and returns obesity-related parameters to normal[2]. |
| Animal Protocol |
Animal/Disease Models: HFD-induced obese male C57BL/6J mice[2] Doses: 10, 30, and 100 mg/kg Route of Administration: Orally administered for 6 weeks Experimental Results: Led to significant dose-dependent body weight reduction by 4.0 g (8.3%), 10 g (21%), and 19 g (40%), respectively, compared to the 48.1 g body weight of HFD-induced obese mice administered with only the vehicle at 10, 30, and 100 mg/kg. |
| References |
[1]. In Yong Bae, et al. Species Differences in Stereoselective Pharmacokinetics of HSG4112, A New Anti-Obesity Agent. Pharmaceutics. 2020 Feb 3;12(2):127. [2]. Leo Sungwong Choi, et al. Discovery and preclinical efficacy of HSG4112, a synthetic structural analog of glabridin, for the treatment of obesity. Int J Obes (Lond). 2021 Jan;45(1):130-142. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (282.14 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.05 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 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 2: ≥ 2.5 mg/mL (7.05 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 | 2.8214 mL | 14.1068 mL | 28.2135 mL | |
| 5 mM | 0.5643 mL | 2.8214 mL | 5.6427 mL | |
| 10 mM | 0.2821 mL | 1.4107 mL | 2.8214 mL |