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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino I3MT-3 - Moligand™ , Inhibitor of 3-Mercaptopyruvate sulfurtransferase, CAS No.I610895, Inhibitor of 3-Mercaptopyruvate sulfurtransferase
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.
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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 Specifiche e purezza
Moligand™
Condizioni di conservazione di stoccaggio
Room temperature
Meccanismo d'azione
Inhibitor of 3-Mercaptopyruvate sulfurtransferase
Nomi e identificatori Sorrisi canonici Cc1cc(=O)[nH]c(n1)SCC(=O)c1cccc2c1cccc2 IUPAC Name 4-methyl-2-(2-naphthalen-1-yl-2-oxoethyl)sulfanyl-1~{H}-pyrimidin-6-one InChIKey KKPLVAUVHOSUPR-UHFFFAOYSA-N INCHI 1S/C17H14N2O2S/c1-11-9-16(21)19-17(18-11)22-10-15(20)14-8-4-6-12-5-2-3-7-13(12)14/h2-9H,10H2,1H3,(H,18,19,21) Isomeri SMILES CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=CC3=CC=CC=C32 PubChem CID 135412420
Documentazione 📋 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 Benzenoids Classe Naphthalenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Naphthalenes Alternative Parents Aryl alkyl ketones Pyrimidones Alkylarylthioethers Hydropyrimidines Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Naphthalene - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Ketone - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 310.400 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 310.078 Da Monoisotopic Mass 310.078 Da Topological Polar Surface Area 83.800 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 527.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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Reconstitution Calculator Recensioni Need help choosing the grade? Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
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