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· · COA & SDS available for every product · Same-day shipping on in-stock items ACT 335827 - Moligand™, ≥98%(HPLC) , Antagonist of OX 1 receptor;Antagonist of OX 2 receptor, CAS No.1354039-86-3, Antagonist of OX 1 receptor;Antagonist of OX 2 receptor
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
HY-108683 | GTPL9122 | (aR,1S)-1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-N-(1-methylethyl)-a-phenyl-2(1H)-isoquinolineacetamide | (2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N-isopropyl-2-phe
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 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-108683 | GTPL9122 | (aR, 1S)-1-[(3, 4-Dimethoxyphenyl)methyl]-3, 4-dihydro-6, 7-dimethoxy-N-(1-methylethyl)-a-phenyl-2(1H)-isoquinolineacetamide | (2R)-2-[(1S)-1-[(3, 4-dimethoxyphenyl)methyl]-6, 7-dimethoxy-3, 4-dihydro-1H-isoquinolin-2-yl]-N-isopropyl-2-phe
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent and selective orexin OX1receptor antagonist (Kbvalues are 41 and 560 nM for OX1and OX2receptors respectively). Elicits anxiolytic effectsin vivo. Brain penetrant and orally available.
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 OX 1 receptor;Antagonist of OX 2 receptor
Names and Identifiers Canonical Smiles CC(C)NC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CC4=CC(=C(C=C4)OC)OC)OC)OC IUPAC Name (2R)-2-[(1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenyl-N-propan-2-ylacetamide InChIKey HXHOBPVRRPCTLG-SETSBSEESA-N INCHI 1S/C31H38N2O5/c1-20(2)32-31(34)30(22-10-8-7-9-11-22)33-15-14-23-18-28(37-5)29(38-6)19-24(23)25(33)16-21-12-13-26(35-3)27(17-21)36-4/h7-13,17-20,25,30H,14-16H2,1-6H3,(H,32,34)/t25-,30+/m0/s1 Isomeric SMILES CC(C)NC(=O)[C@@H](C1=CC=CC=C1)N2CCC3=CC(=C(C=C3[C@@H]2CC4=CC(=C(C=C4)OC)OC)OC)OC Alternate CAS 1354039-86-3 PubChem CID 54765113 MeSH Entry Terms 2-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-isopropyl-2-phenylacetamide;ACT-335827 Molecular Weight 518.64
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 Benzylisoquinolines Intermediate Tree Nodes Not available Direct Parent Benzylisoquinolines Alternative Parents Alpha amino acid amides Tetrahydroisoquinolines Phenylacetamides Dimethoxybenzenes Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzylisoquinoline - Alpha-amino acid amide - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Phenylacetamide - Dimethoxybenzene - O-dimethoxybenzene - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as benzylisoquinolines. These are organic compounds containing an isoquinoline to which a benzyl group is attached. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 51.86, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 51.86, Max Conc. mM: 100 Molecular Weight 518.600 g/mol XLogP3 5.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 10 Exact Mass 518.278 Da Monoisotopic Mass 518.278 Da Topological Polar Surface Area 69.300 Ų Heavy Atom Count 38 Formal Charge 0 Complexity 729.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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