Physicochemical Properties
| Molecular Formula | C15H14O7 |
| Molecular Weight | 306.267465114594 |
| Exact Mass | 306.074 |
| CAS # | 313254-94-3 |
| Related CAS # | MMG-11 quarterhydrate |
| PubChem CID | 854609 |
| Appearance | Light yellow to brown solid powder |
| LogP | 2.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 22 |
| Complexity | 411 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O1C(C(=O)OCC)=CC=C1CC(C1C=CC(=C(C=1O)O)O)=O |
| InChi Key | IIDUJWIVMGALOG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H14O7/c1-2-21-15(20)12-6-3-8(22-12)7-11(17)9-4-5-10(16)14(19)13(9)18/h3-6,16,18-19H,2,7H2,1H3 |
| Chemical Name | ethyl 5-[2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-carboxylate |
| Synonyms | MMG-11 MMG 11 MMG11 |
| 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 Vitro | MMG-11 does not exhibit cytotoxicity or disrupt signaling that is triggered by TLR agonists, IL-1β, or TNF. Peripheral blood mononuclear cells (PBMC) exhibit up to 100 cell cytotoxicity assay in response to MMG-11 (0.01-100 µM) [1]. |
| Cell Assay |
Cell Cytotoxicity Assay[1] Cell Types: PBMC Tested Concentrations: 0.01, 1, 10, 100 µM Incubation Duration: Experimental Results: Up to 100 µM shows no cytotoxic effects [1]. |
| References |
[1]. Identification of a pyrogallol derivative as a potent and selective human TLR2 antagonist by structure-based virtual screening. Biochem Pharmacol. 2018 Aug;154:148-160. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~326.51 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.79 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 20.8 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: ≥ 2.08 mg/mL (6.79 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 20.8 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 | 3.2651 mL | 16.3255 mL | 32.6509 mL | |
| 5 mM | 0.6530 mL | 3.2651 mL | 6.5302 mL | |
| 10 mM | 0.3265 mL | 1.6325 mL | 3.2651 mL |