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.
PF-06761281 (Compound 4a) is a potent, orally active, partial selective sodium-coupled citrate transporter (NaCT or SLC13A5) inhibitor with IC 50 values of 0.51, 13.2 and 14.1 µM against HEK NaCT , HEK NaDC1 and HEK NaDC3 , respectively
In Vitro
PF-06761281 (Compound 4a) inhibits citrate uptake with IC 50 values of 0.12, 0.21 and 0.74 µM in rat, mouse and human Heps. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
IC50& Target:IC 50 : 0.51 µM (HEK NaCT ), 13.2 µM (HEK NaDC1 ), 14.1 µM (HEK NaDC3 )
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)CCC(CC(=O)O)(C(=O)O)O |
|---|---|
| IUPAC Name | (2R)-2-[2-(4-tert-butylphenyl)ethyl]-2-hydroxybutanedioic acid |
| InChIKey | QNFWRHKLBLSSPB-MRXNPFEDSA-N |
| INCHI | 1S/C16H22O5/c1-15(2,3)12-6-4-11(5-7-12)8-9-16(21,14(19)20)10-13(17)18/h4-7,21H,8-10H2,1-3H3,(H,17,18)(H,19,20)/t16-/m1/s1 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)CC[C@@](CC(=O)O)(C(=O)O)O |
| Molecular Weight | 294.34 |
| Reaxy-Rn | 29115786 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29115786&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 acids and derivatives |
| Class | Hydroxy acids and derivatives |
| Subclass | Medium-chain hydroxy acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Medium-chain hydroxy acids and derivatives |
| Alternative Parents | Phenylpropanes Medium-chain fatty acids Hydroxy fatty acids Branched fatty acids Dicarboxylic acids and derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Medium-chain hydroxy acid - Phenylpropane - Medium-chain fatty acid - Branched fatty acid - Hydroxy fatty acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Tertiary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. |
| External Descriptors | Not available |
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