≥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.
Information
PS210 is a substrate-selective protein kinase PDK1 inhibitor that acts by binding to the PIF-pocket allosteric docking site.
| Pubchem Sid | 504771854 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771854 |
| Kanonisches Lächeln | C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)O |
| IUPAC Name | 2-[3-oxo-1-phenyl-3-[4-(trifluoromethyl)phenyl]propyl]propanedioic acid |
| InChIKey | MLJPLHGJBUWCBA-UHFFFAOYSA-N |
| INCHI | 1S/C19H15F3O5/c20-19(21,22)13-8-6-12(7-9-13)15(23)10-14(11-4-2-1-3-5-11)16(17(24)25)18(26)27/h1-9,14,16H,10H2,(H,24,25)(H,26,27) |
| Isomere SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)C(F)(F)F)C(C(=O)O)C(=O)O |
| PubChem CID | 66760004 |
| Molekulargewicht | 247.25 |
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 | Lignans, neolignans and related compounds |
| Klasse | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lignans, neolignans and related compounds |
| Alternative Parents | Retro-dihydrochalcones Alkyl-phenylketones Phenylpropanoic acids Butyrophenones Trifluoromethylbenzenes Aryl alkyl ketones Medium-chain fatty acids Benzoyl derivatives Halogenated fatty acids Branched fatty acids 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Norlignan skeleton - Retro-dihydrochalcone - Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - 3-phenylpropanoic-acid - Trifluoromethylbenzene - Phenylketone - Benzoyl - Medium-chain fatty acid - Aryl alkyl ketone - Aryl ketone - Halogenated fatty acid - Branched fatty acid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Ketone - Carboxylic acid derivative - Carboxylic acid - Alkyl halide - Alkyl fluoride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound |
| Beschreibung | This compound belongs to the class of organic compounds known as lignans, neolignans and related compounds. These are plant products of low molecular weight formed primarily from oxidative coupling of two p-propylphenol moieties. They can also be described as micromolecules with two phenylpropanoid units coupled together. They can be attached in various manners, like C5-C5', C8-C8'. Most known natural lignans are oxidized at C9 and C9´ and, based upon the way in which oxygen is incorporated into the skeleton and on the cyclization patterns, a wide range of lignans of very different structural types can be formed. |
| 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 | Datum | Artikel |
|---|---|---|---|
 K2223339 | Certificate of Analysis | Sep 04, 2025 | P412959 |
| K2223352 | Certificate of Analysis | Sep 04, 2025 | P412959 |
| K2223383 | Certificate of Analysis | Sep 04, 2025 | P412959 |
| K2223386 | Certificate of Analysis | Sep 04, 2025 | P412959 |
| K2223388 | Certificate of Analysis | Sep 04, 2025 | P412959 |
| K2223353 | Certificate of Analysis | Jul 03, 2022 | P412959 |
| Molekulargewicht | 380.300 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 380.087 Da |
| Monoisotopic Mass | 380.087 Da |
| Topological Polar Surface Area | 91.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 532.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
