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· · COA & SDS available for every product · Same-day shipping on in-stock items LY53857 - Moligand™ , Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor, CAS No.32896-53-0, Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B 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. Synonyms
4-ISOPROPYL-7-METHYL-9-(2-HYDROXY-1-METHYLPROPOXYCARBONYL)-4,6,6.ALPHA.,7,8,9,10,10.ALPHA.-OCTAHYDROINDOLO(4,3-FG)QUINOLINE | LY-53,857 | Ergoline-8beta-carboxylic acid, 1-isopropyl-6-methyl-, 2-hydroxy-1-methylpropyl ester | 3-hydroxybutan-2-yl (2R,4R,7R
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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
4-ISOPROPYL-7-METHYL-9-(2-HYDROXY-1-METHYLPROPOXYCARBONYL)-4, 6, 6.ALPHA., 7, 8, 9, 10, 10.ALPHA.-OCTAHYDROINDOLO(4, 3-FG)QUINOLINE | LY-53, 857 | Ergoline-8beta-carboxylic acid, 1-isopropyl-6-methyl-, 2-hydroxy-1-methylpropyl ester | 3-hydroxybutan-2-yl (2R, 4R, 7R
Specifications & Purity
Moligand™
Mechanism of action
Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor
Names and Identifiers Canonical Smiles CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C IUPAC Name 3-hydroxybutan-2-yl (2R,4R,7R)-6-methyl-11-(propan-2-yl)-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene-4-carboxylate InChIKey JQYLIGHHVGCTPR-LYRPIDSHSA-N INCHI 1S/C23H32N2O3/c1-13(2)25-12-16-10-21-19(18-7-6-8-20(25)22(16)18)9-17(11-24(21)5)23(27)28-15(4)14(3)26/h6-8,12-15,17,19,21,26H,9-11H2,1-5H3/t14?,15?,17-,19-,21-/m1/s1 Isomeric SMILES CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC(C)C(C)O)C4=C2C1=CC=C4 PubChem CID 3034814
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 Alkaloids and derivatives Class Ergoline and derivatives Subclass Lysergic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Lysergic acids and derivatives Alternative Parents Indoloquinolines Benzoquinolines Pyrroloquinolines 3-alkylindoles N-alkylindoles Piperidinecarboxylic acids Isoindoles and derivatives Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary alcohols Trialkylamines Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - N-alkylindole - 3-alkylindole - Quinoline - Indole - Indole or derivatives - Isoindole or derivatives - Piperidinecarboxylic acid - Aralkylamine - Benzenoid - Piperidine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton. 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 384.500 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 384.241 Da Monoisotopic Mass 384.241 Da Topological Polar Surface Area 54.700 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 582.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 Undefined Atom Stereocenter Count 2 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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