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· · COA & SDS available for every product · Same-day shipping on in-stock items GSK9772 - Moligand™ , Allosteric modulator of Liver X receptor-β, CAS No.928035-84-1, Allosteric modulator of Liver X receptor-β
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
GSK 9772;GSK-9772
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Why this grade Moligand™ Moligand™ 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
GSK 9772;GSK-9772
Specifications & Purity
Moligand™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of Liver X receptor-β
Names and Identifiers Canonical Smiles CCCCN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)Cc1cc(Cl)c(c(c1)Cl)O IUPAC Name 4-[[butyl-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]amino]methyl]-2,6-dichlorophenol InChIKey TYYLMKBOWXDDCT-UHFFFAOYSA-N INCHI 1S/C20H19Cl2F6NO2/c1-2-3-8-29(11-12-9-15(21)17(30)16(22)10-12)14-6-4-13(5-7-14)18(31,19(23,24)25)20(26,27)28/h4-7,9-10,30-31H,2-3,8,11H2,1H3 Isomeric SMILES CCCCN(CC1=CC(=C(C(=C1)Cl)O)Cl)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O PubChem CID 16049480
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 Benzenoids Class Benzene and substituted derivatives Subclass Phenylmethylamines Intermediate Tree Nodes Not available Direct Parent Phenylbenzamines Alternative Parents O-chlorophenols Dichlorobenzenes Dialkylarylamines Benzylamines Aniline and substituted anilines Aralkylamines Aryl chlorides Tertiary alcohols Fluorohydrins Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides Molecular Framework Aromatic homomonocyclic compounds Substituents Phenylbenzamine - Benzylamine - Aniline or substituted anilines - Dialkylarylamine - 2-chlorophenol - Tertiary aliphatic/aromatic amine - 1,3-dichlorobenzene - 2-halophenol - Aralkylamine - Chlorobenzene - Phenol - Halobenzene - Aryl chloride - Aryl halide - Tertiary alcohol - Halohydrin - Fluorohydrin - Tertiary amine - Alcohol - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine. 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 490.300 g/mol XLogP3 6.900 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 7 Exact Mass 489.07 Da Monoisotopic Mass 489.07 Da Topological Polar Surface Area 43.700 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 543.000 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
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