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· · COA & SDS available for every product · Same-day shipping on in-stock items SID 7969543 - Moligand™, ≥98% , CAS No.868224-64-0
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% Synonyms
HY-107404 | MS-28223 | SID 7969543 | ETHYL 2-[[2-[2-[(2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-6-YL)AMINO]-2-OXOETHYL]-1,2-DIHYDRO-1-OXO-5-ISOQUINOLINYL]OXY]PROPANOATE | ethyl 2-[(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinoli
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C 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
HY-107404 | MS-28223 | SID 7969543 | ETHYL 2-[[2-[2-[(2, 3-DIHYDRO-BENZO[B][1, 4]DIOXINE-6-YL)AMINO]-2-OXOETHYL]-1, 2-DIHYDRO-1-OXO-5-ISOQUINOLINYL]OXY]PROPANOATE | ethyl 2-[(2-{[(2, 3-dihydro-1, 4-benzodioxin-6-yl)carbamoyl]methyl}-1-oxo-1, 2-dihydroisoquinoli
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
Selective steroidogenic factor-1 (SF-1, NR5A1) inhibitor (IC50values are 0.76, >33 and >33μM at SF-1, RORαand VP16 respectively). Inhibits SF-1-dependent luciferase expression in HEK 293T cellsin vitro(IC50= 30 nM).
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504762832 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762832 Canonical Smiles CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 IUPAC Name ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate InChIKey KWMBIIQCLUIHDI-UHFFFAOYSA-N INCHI 1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)14-22(27)25-16-7-8-20-21(13-16)32-12-11-31-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,25,27) Isomeric SMILES CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4 WGK Germany 3 PubChem CID 4076092 Molecular Weight 452.46
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 Isoquinolines and derivatives Subclass Isoquinolones and derivatives Intermediate Tree Nodes Not available Direct Parent Isoquinolones and derivatives Alternative Parents Phenoxyacetic acid derivatives Benzo-1,4-dioxanes N-arylamides Pyridinones Alkyl aryl ethers Para dioxins Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Isoquinolone - Phenoxyacetate - Benzo-1,4-dioxane - Benzodioxane - N-arylamide - Alkyl aryl ether - Pyridinone - Para-dioxin - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety. 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: 45.25, Max Conc. mM: 100 Molecular Weight 452.500 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 8 Exact Mass 452.158 Da Monoisotopic Mass 452.158 Da Topological Polar Surface Area 103.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 757.000 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
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