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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Esonarimod , CAS No.101973-77-7
Synonyms
Tox21_113282 | Phosphonic acid,P-methyl-, bis(1-methylethyl) ester | GLXC-25687 | L000225 | NCGC00182987-01 | DTXCID6028731 | Esonarimod (JAN/INN) | (+/-)-3-MERCAPTO-2-(P-METHYLPHENACYL)PROPIONIC ACID ACETATE | 2-Acetylthiomethyl-3-(4-methylbenzoyl)propio
Shipped In
Ice chest + Ice pads
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Why this grade 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.
Panoramica Information
Esonarimod (KE-298) is an antirheumatic drug.
Specifications Sinonimi
Tox21_113282 | Phosphonic acid,P-methyl-, bis(1-methylethyl) ester | GLXC-25687 | L000225 | NCGC00182987-01 | DTXCID6028731 | Esonarimod (JAN/INN) | (+/-)-3-MERCAPTO-2-(P-METHYLPHENACYL)PROPIONIC ACID ACETATE | 2-Acetylthiomethyl-3-(4-methylbenzoyl)propio
Meccanismi biochimici e fisiologici
Esonarimod (KE-298) is an antirheumatic drug.
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Nomi e identificatori Sorrisi canonici
CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)O
IUPAC Name
2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid
InChIKey
YRSSFEUQNAXQMX-UHFFFAOYSA-N
INCHI
1S/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18)
Isomeri SMILES
CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5439717&ln=
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 Organic oxygen compounds Classe Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Toluenes Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Toluene - Monocyclic benzene moiety - Benzenoid - Keto acid - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound Descrizione This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 280.340 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 7 Exact Mass 280.077 Da Monoisotopic Mass 280.077 Da Topological Polar Surface Area 96.700 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 345.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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