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· · COA & SDS available for every product · Same-day shipping on in-stock items JBI-589 - Moligand™ , Inhibitor of peptidyl arginine deiminase 4, CAS No.J611227, Inhibitor of peptidyl arginine deiminase 4
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
compound 13 [WO2022034616A1];JBI589
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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
compound 13 [WO2022034616A1];JBI589
Specifications & Purity
Moligand™
Mechanism of action
Inhibitor of peptidyl arginine deiminase 4
Names and Identifiers Canonical Smiles CC1=C(N=C2C=C(C=CN12)C(=O)N3CCC[C@@H](N)C3)C4=CC5=CC=CC=C5N4CC6=CC=C(F)C=C6 IUPAC Name [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone InChIKey DUVCPNSLXBKGOK-XMMPIXPASA-N INCHI 1S/C29H28FN5O/c1-19-28(32-27-16-22(12-14-34(19)27)29(36)33-13-4-6-24(31)18-33)26-15-21-5-2-3-7-25(21)35(26)17-20-8-10-23(30)11-9-20/h2-3,5,7-12,14-16,24H,4,6,13,17-18,31H2,1H3/t24-/m1/s1 PubChem CID 138578805
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 Indoles and derivatives Subclass N-alkylindoles Intermediate Tree Nodes Not available Direct Parent N-alkylindoles Alternative Parents Pyridinecarboxylic acids and derivatives N-acylpiperidines Imidazopyridines Imidazo[1,2-a]pyridines Fluorobenzenes Dihydropyridines Substituted pyrroles N-acyl amines Tertiary carboxylic acid amides Pyrrolines Heteroaromatic compounds Azoles Trialkylamines Amino acids and derivatives Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Enamines Carboximidamides Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents N-alkylindole - Imidazo[1,2-a]pyridine - Pyridine carboxylic acid or derivatives - N-acyl-piperidine - Imidazopyridine - Halobenzene - Fluorobenzene - Dihydropyridine - Benzenoid - Substituted pyrrole - Pyridine - Piperidine - N-acyl-amine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrroline - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Vinyl halide - Vinyl fluoride - Enamine - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. 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.
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