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

CAS: 32896-53-0 Cat. No.: L611673 PubChem CID: 3034814
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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
Storage
Room temperature
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Size
Deutschland (EU)
USA*
Price
Qty
5mg
L611673-5mg
Auf Bestellung · 8–12 Wochen

991,74€

1.158,34€
Speichern 166,61 € (14.38%)
25mg
L611673-25mg
Auf Bestellung · 8–12 Wochen
1.475,94€
Enter a quantity for the sizes you want to add.
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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

Synonyme
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
Spezifikationen & Reinheit
Moligand™
Storage
Room temperature
Note
Moligand™
Aktionsart
ANTAGONIST
Mechanismus der Wirkung
Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor
Namen und Kennungen
Kanonisches LächelnCC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C
IUPAC Name3-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
InChIKeyJQYLIGHHVGCTPR-LYRPIDSHSA-N
INCHI1S/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
Isomere 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassAlkaloids and derivatives
KlasseErgoline and derivatives
SubclassLysergic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentLysergic 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 FrameworkAromatic 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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
HTR2A Tclin 5-hydroxytryptamine receptor 2A (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HTR2B Tclin 5-hydroxytryptamine receptor 2B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
GCN5 Histone acetyltransferase GCN5 (89 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Molekulargewicht384.500 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass384.241 Da
Monoisotopic Mass384.241 Da
Topological Polar Surface Area54.700 Ų
Heavy Atom Count28
Formal Charge0
Complexity582.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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