≥98% 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.
GPR40 agonist 4 is a potent free fatty acid receptor 1 ( FFA1/ GPR40 ) agonist with a pEC 50 of 7.54.
In Vitro
GPR40 agonist 4 tends to have a low risk of activating caspase-3/7. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Single oral administration of GPR40 agonist 4 (compound 20) robustly reduces the plasma glucose excursion and enhances insulin secretion during an oral glucose tolerance test (OGTT) in a dose-dependent manner from 1 to 10 mg/kg when GPR40 agonist 4 is dosed 60 min prior to the oral glucose challenge. The area under the curve of blood glucose (AUC 0-120min ) and blood insulin (AUC 0-120min ) reveal that the minimum effective dose of GPR40 agonist 4 is 3 mg/kg. The hyperglycemia state is also markedly improved in GPR40 agonist 4 (20 mg/kg) treated group . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:pEC 50 : 7.54 (FFA1/GPR40)
| Sorrisi canonici | C1=CC=C(C(=C1)C2=CC=CC(=C2)COC3=CC=C(C=C3)S(=O)(=O)CC(=O)O)Cl |
|---|---|
| IUPAC Name | 2-[4-[[3-(2-chlorophenyl)phenyl]methoxy]phenyl]sulfonylacetic acid |
| InChIKey | YEFZZALZTNOYEA-UHFFFAOYSA-N |
| INCHI | 1S/C21H17ClO5S/c22-20-7-2-1-6-19(20)16-5-3-4-15(12-16)13-27-17-8-10-18(11-9-17)28(25,26)14-21(23)24/h1-12H,13-14H2,(H,23,24) |
| Isomeri SMILES | C1=CC=C(C(=C1)C2=CC=CC(=C2)COC3=CC=C(C=C3)S(=O)(=O)CC(=O)O)Cl |
| PubChem CID | 131842087 |
| Peso molecolare | 416.87 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Biphenyls and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chlorinated biphenyls |
| Alternative Parents | Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Sulfonyls Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Chlorinated biphenyl - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Alkyl aryl ether - Sulfonyl - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubilità | DMSO : 160 mg/mL (383.81 mM; Need ultrasonic and warming) |
|---|---|
| Peso molecolare | 416.900 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 416.049 Da |
| Monoisotopic Mass | 416.049 Da |
| Topological Polar Surface Area | 89.100 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 609.000 |
| 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 |
