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· · COA & SDS available for every product · Same-day shipping on in-stock items (R)-2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)butanoic acid , Peroxisome proliferator-activated receptor gamma modulator, CAS No.668455-28-5, Peroxisome proliferator-activated receptor gamma modulator
Synonyms
MK-0533 | MK0533 | (R)-2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)butanoic acid | J17152066B | Butanoic acid, 2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)-, (2R)- | STWITCBWQHTJFJ-XMMP
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
MK-0533 | MK0533 | (R)-2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)butanoic acid | J17152066B | Butanoic acid, 2-(3-(3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)phenoxy)-, (2R)- | STWITCBWQHTJFJ-XMMP
Mechanism of action
Peroxisome proliferator-activated receptor gamma modulator
Product Properties Names and Identifiers Canonical Smiles CCC(C(=O)O)OC1=CC=CC(=C1)N2C(=C(C3=C2C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)OC)C IUPAC Name (2R)-2-[3-[3-(4-methoxybenzoyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]butanoic acid InChIKey STWITCBWQHTJFJ-XMMPIXPASA-N INCHI 1S/C28H24F3NO6/c1-4-24(27(34)35)37-20-7-5-6-18(14-20)32-16(2)25(26(33)17-8-10-19(36-3)11-9-17)22-13-12-21(15-23(22)32)38-28(29,30)31/h5-15,24H,4H2,1-3H3,(H,34,35)/t24-/m1/s1 Isomeric SMILES CC[C@H](C(=O)O)OC1=CC=CC(=C1)N2C(=C(C3=C2C=C(C=C3)OC(F)(F)F)C(=O)C4=CC=C(C=C4)OC)C PubChem CID 11678534 Molecular Weight 527.5
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Indoles and derivatives Subclass Benzoylindoles Intermediate Tree Nodes Not available Direct Parent Benzoylindoles Alternative Parents Aryl-phenylketones Indolecarboxylic acids and derivatives Phenylpyrroles Phenoxyacetic acid derivatives Indoles Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Trihalomethanes Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides Organonitrogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzoylindole - Aryl-phenylketone - Indolecarboxylic acid derivative - Phenoxyacetate - 1-phenylpyrrole - Indole - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Trihalomethane - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Halomethane - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 527.500 g/mol XLogP3 7.000 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 9 Exact Mass 527.156 Da Monoisotopic Mass 527.156 Da Topological Polar Surface Area 87.000 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 817.000 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
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