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· · COA & SDS available for every product · Same-day shipping on in-stock items PA 452 - Moligand™, ≥98%(HPLC) , Antagonist of Retinoid X receptor-α, CAS No.457657-34-0, Antagonist of Retinoid X receptor-α
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. ≥98%(HPLC) Synonyms
2-[[3-(Hexyloxy)-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylic acid
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged Ships Ice chest + Ice pads 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
2-[[3-(Hexyloxy)-5, 6, 7, 8-tetrahydro-5, 5, 8, 8-tetramethyl-2-naphthalenyl]methylamino]-5-pyrimidinecarboxylic acid
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
RXR antagonist (pA2= 7.11). Triggers dissociation of RXR tetramers. Attenuates cell proliferation and induces apoptosis in MCF-7 breast cancer cells.
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Antagonist of Retinoid X receptor-α
Names and Identifiers Canonical Smiles CCCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)O IUPAC Name 2-[(3-hexoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-methylamino]pyrimidine-5-carboxylic acid InChIKey JJUUTJCZMGZJDZ-UHFFFAOYSA-N INCHI 1S/C26H37N3O3/c1-7-8-9-10-13-32-22-15-20-19(25(2,3)11-12-26(20,4)5)14-21(22)29(6)24-27-16-18(17-28-24)23(30)31/h14-17H,7-13H2,1-6H3,(H,30,31) Isomeric SMILES CCCCCCOC1=C(C=C2C(=C1)C(CCC2(C)C)(C)C)N(C)C3=NC=C(C=N3)C(=O)O PubChem CID 9803242 Molecular Weight 439.59
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 Organic nitrogen compounds Class Organonitrogen compounds Subclass Amines Intermediate Tree Nodes Tertiary amines - Tertiary alkylarylamines Direct Parent Alkyldiarylamines Alternative Parents Tetralins Pyrimidinecarboxylic acids Phenol ethers Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Alkyldiarylamine - Tetralin - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as alkyldiarylamines. These are tertiary alkylarylamines having two aryl and one alkyl groups attached to the amino 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 Solubility Solvent:DMSO, Max Conc. mg/mL: 43.96, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.4, Max Conc. mM: 10 Molecular Weight 439.600 g/mol XLogP3 7.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 9 Exact Mass 439.283 Da Monoisotopic Mass 439.283 Da Topological Polar Surface Area 75.600 Ų Heavy Atom Count 32 Formal Charge 0 Complexity 615.000 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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Reconstitution Calculator Reviews Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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