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· · COA & SDS available for every product · Same-day shipping on in-stock items MK-591 sodium - ≥98% , CAS No.147030-01-1
Synonyms
321US0I5R6 | sodium 3-[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)-3-tert-butylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoate | MK-591 (sodium) | UNII-321US0I5R6 | Sodium 3-(tert-butylthio)-1-(p-chlorobenzyl)-alpha,alpha-dimethyl-5-(2-quinolylmethox
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged 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.
Specifications Synonyms
321US0I5R6 | sodium 3-[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)-3-tert-butylsulfanyl-indol-2-yl]-2, 2-dimethyl-propanoate | MK-591 (sodium) | UNII-321US0I5R6 | Sodium 3-(tert-butylthio)-1-(p-chlorobenzyl)-alpha, alpha-dimethyl-5-(2-quinolylmethox
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
MK591 is a selective and specific 5-Lipoxygenase-activating protein (FLAP) inhibitor. MK591 is a synthetic compound which specifically inhibits the activity of 5-Lox and is currently under development for the treatment of asthma. Research
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)[O-].[Na+] IUPAC Name sodium;3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate InChIKey YPURUCMVRRNPHJ-UHFFFAOYSA-M INCHI 1S/C34H35ClN2O3S.Na/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39;/h6-18H,19-21H2,1-5H3,(H,38,39);/q;+1/p-1 Isomeric SMILES CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)[O-].[Na+] Alternate CAS 136668-42-3(free base) Molecular Weight 609.15 Reaxy-Rn 8381289 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8381289&ln=
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 Quinolines and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Quinolines and derivatives Alternative Parents N-alkylindoles Indoles Phenol ethers Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Substituted pyrroles Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Organic metal halides Monocarboxylic acids and derivatives Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Quinoline - N-alkylindole - Indole or derivatives - Indole - Phenol ether - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Alkyl aryl ether - Aryl chloride - Substituted pyrrole - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Carboxylic acid salt - Organic metal halide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organic alkali metal salt - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic salt - Organic sodium salt - Carbonyl group - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. 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 Solubility DMSO Sensitivity Moisture sensitive Molecular Weight 609.200 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 10 Exact Mass 608.188 Da Monoisotopic Mass 608.188 Da Topological Polar Surface Area 92.500 Ų Heavy Atom Count 42 Formal Charge 0 Complexity 879.000 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 2
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