Physicochemical Properties
| Molecular Formula | C17H20O4 |
| Molecular Weight | 288.338305473328 |
| Exact Mass | 288.136 |
| CAS # | 90902-21-9 |
| Related CAS # | 90902-21-9 |
| PubChem CID | 14213544 |
| Appearance | White to off-white solid |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 464.9±40.0 °C at 760 mmHg |
| Flash Point | 235.0±27.3 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.586 |
| LogP | 3.35 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 21 |
| Complexity | 297 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | OC1C(OC)=CC=C(CCCC2C(O)=CC(OC)=CC=2)C=1 |
| InChi Key | GDCSYNUJDYRGRF-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H20O4/c1-20-14-8-7-13(15(18)11-14)5-3-4-12-6-9-17(21-2)16(19)10-12/h6-11,18-19H,3-5H2,1-2H3 |
| Chemical Name | 5-[3-(2-hydroxy-4-methoxyphenyl)propyl]-2-methoxyphenol |
| Synonyms | Broussonin E |
| 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 | ERK; p38 MAPK; JAK2; STAT3; IL-1β; IL-6; COX-2; IL-10 |
| ln Vitro | LPS (lipopolysaccharide)-stimulated phosphorylated ERK and p38 MAPK are inhibited by broussonin E (20 μM, 3 h)[1]. Janus regulatory (JAK) 2 and signal transducer and activator of transcription (STAT) 3 are activated by broussonin E [1]. In RAW264.7 cells, broussonin E (0–20 μM, 3 h) can suppress the production of pro-inflammatory mediators such as TNF-α, IL-1β, IL-6, COX-2, and iNOS that are stimulated by LPS[1]. In LPS-stimulated RAW264.7 cells, broussonin E increases the production of anti-inflammatory mediators like IL-10, CD206, and arginase-1 (Arg-1) [1]. |
| Cell Assay |
Western Blot Analysis[1] Cell Types: RAW264.7 cells Tested Concentrations: 2.5, 5, 10 and 20 Incubation Duration: 3 hrs (hours) Experimental Results: Inhibition of p-ERK and p-p38 MAPK in LPS stimulated RAW264.7 cells, but not Inhibit p-JNK MAPK expression. |
| References |
[1]. Broussonin E suppresses LPS-induced inflammatory response in macrophages via inhibiting MAPK pathway and enhancing JAK2-STAT3 pathway. Chin J Nat Med. 2019 May 20;17(5):372-380. |
| Additional Infomation | broussonin E has been reported in Broussonetia papyrifera with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~346.8 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.67 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 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 (8.67 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 (8.67 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 | 3.4681 mL | 17.3406 mL | 34.6813 mL | |
| 5 mM | 0.6936 mL | 3.4681 mL | 6.9363 mL | |
| 10 mM | 0.3468 mL | 1.7341 mL | 3.4681 mL |