≥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 Activator 1 is a potent GPR40 activator for treatment of type 2 diabetes.IC50 value:Target: GPR40Preparation of spiropiperidine derivatives for use as antidiabetic agentsBy Hamdouchi, Chafiq; Lineswala, Jayana Pankaj; Maiti, PranabFrom PCT Int. Appl. (2011), WO 2011066183 A1 20110603.
Form:Solid
| Sonrisas canónicas | CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CC3)C=CC5=CC=CC=C45 |
|---|---|
| IUPAC Name | (3S)-3-[4-[[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid |
| InChIKey | YSVQUSMRABAJAR-VWLOTQADSA-N |
| INCHI | 1S/C31H31NO3S/c1-2-5-25(20-30(33)34)23-8-10-26(11-9-23)35-22-28-13-12-27(36-28)21-32-18-16-31(17-19-32)15-14-24-6-3-4-7-29(24)31/h3-4,6-15,25H,16-22H2,1H3,(H,33,34)/t25-/m0/s1 |
| Isómeros SMILES | CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CC3)C=CC5=CC=CC=C45 |
| PubChem CID | 52936292 |
| Peso molecular | 497.65 |
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 | Phenylpropanoids and polyketides |
| Clase | Phenylpropanoic acids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanoic acids |
| Alternative Parents | Indenes and isoindenes Medium-chain fatty acids Phenol ethers Phenoxy compounds Alkyl aryl ethers 2,5-disubstituted thiophenes Heterocyclic fatty acids Aralkylamines Unsaturated fatty acids Piperidines Heteroaromatic compounds Amino acids Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 3-phenylpropanoic-acid - Indene - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - 2,5-disubstituted thiophene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| 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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| 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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| Peso molecular | 497.600 g/mol |
|---|---|
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 497.202 Da |
| Monoisotopic Mass | 497.202 Da |
| Topological Polar Surface Area | 78.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 842.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
