Determine the necessary mass, volume, or concentration for preparing a solution.
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≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Product Describtion:
MMG-11 inhibits both TLR2/1 and TLR2/6 signaling (IC50s: 1.7 µM for Pam3CSK4-induced hTLR2/1 and 5.7 µM for Pam2CSK4-induced hTLR2/6 responses). MMG-11 is an effective and selective human TLR2 antagonist with low cytotoxicity.
| Canonical Smiles | CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C(=C(C=C2)O)O)O |
|---|---|
| IUPAC Name | ethyl 5-[2-oxo-2-(2,3,4-trihydroxyphenyl)ethyl]furan-2-carboxylate |
| InChIKey | IIDUJWIVMGALOG-UHFFFAOYSA-N |
| 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 |
| Isomeric SMILES | CCOC(=O)C1=CC=C(O1)CC(=O)C2=C(C(=C(C=C2)O)O)O |
| Molecular Weight | 306.27 |
| Reaxy-Rn | 24291928 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24291928&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Alkyl-phenylketones |
| Alternative Parents | Furoic acid esters 5-unsubstituted pyrrogallols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alkyl-phenylketone - Furoic acid ester - Benzenetriol - 5-unsubstituted pyrrogallol - Pyrogallol derivative - Furoic acid or derivatives - Benzoyl - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous acid - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Polyol - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 | |
| Certificate of Analysis | Aug 17, 2022 | M287535 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 30.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 15.31, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 306.270 g/mol |
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 306.074 Da |
| Monoisotopic Mass | 306.074 Da |
| Topological Polar Surface Area | 117.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 411.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |