Physicochemical Properties
| Molecular Formula | C19H28O5 |
| Molecular Weight | 336.42 |
| Exact Mass | 336.193 |
| CAS # | 1770778-45-4 |
| PubChem CID | 122183243 |
| Appearance | Typically exists as solid at room temperature |
| LogP | 5.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 12 |
| Heavy Atom Count | 24 |
| Complexity | 357 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCCCCCCCCCOC(=O)/C=C/C1=CC(=C(C(=C1)O)O)O |
| InChi Key | OWEKZOWXFBOKOI-ZHACJKMWSA-N |
| InChi Code | InChI=1S/C19H28O5/c1-2-3-4-5-6-7-8-9-12-24-18(22)11-10-15-13-16(20)19(23)17(21)14-15/h10-11,13-14,20-21,23H,2-9,12H2,1H3/b11-10+ |
| Chemical Name | decyl (E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoate |
| 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
| Targets | EC50: 0.9 μM (pancreatic lipase)[1] |
| ln Vitro | In vitro, 3,4,5-Trihydroxycinnamic acid decyl ester (30 μM) has an inhibitory efficacy of about 92% for pancreatic lipase[1]. Pancreatic lipase activity is dose-dependently inhibited by 3,4,5-trihydroxycinnamic acid decyl ester (0.1–40 μM), with an EC50 value of about 0.9 μM[1]. Decyl ester of 3,4,5-trihydroxycinnamic acid prevents fat buildup during 3T3-L1 cell development and pancreatic lipase in vitro[1]. |
| ln Vivo | In mice administered maize oil orally, 3,4,5-Trihydroxycinnamic acid decyl ester (30-150 mg/kg; po) inhibits an increase in blood triglyceride (TG) levels[1]. |
| Animal Protocol |
Animal/Disease Models: 6 weeks old Male ddY mice[1] Doses: 30 mg/kg, 150 mg/kg Route of Administration: Oral administration Experimental Results: decreased plasma TG in a dose-dependent manner. |
| References | [1]. Masahiko Imai ,et al. Inhibitory effects of hydroxylated cinnamoyl esters on lipid absorption and accumulation. Bioorg Med Chem. 2015 Jul 1;23(13):3788-95. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (297.25 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (7.43 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (7.43 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 3: ≥ 2.5 mg/mL (7.43 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 | 2.9725 mL | 14.8624 mL | 29.7247 mL | |
| 5 mM | 0.5945 mL | 2.9725 mL | 5.9449 mL | |
| 10 mM | 0.2972 mL | 1.4862 mL | 2.9725 mL |