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Lesinurad sodium - 10mM in DMSO, high purity , CAS No.1151516-14-1
Basic Description
Synonyms
Lesinurad sodium | 1151516-14-1 | RDEA-594 sodium | RDEA594 SODIUM | Lesinurad (sodium) | RDEA 594 sodium | Lesinurad sodium [USAN] | Sodium 2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate | 25UH266CV3 | Lesinurad sodium (USAN) | sodium 2-(5-b
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Lesinurad (Selexipag, RDEA-594) sodium (Zurampic) is a selective uric acid reabsorption inhibitor (SURI) under investigation for treatment of gout. Lesinurad sodium inhibits the uric acid transporter URAT1 and Kidney transporter OAT with IC50/Km of 4.3 μM
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
Lesinurad sodium Lesinurad (Selexipag, RDEA-594) sodium (Zurampic) is a selective uric acid reabsorption inhibitor (SURI) under investigation for treatment of gout. Lesinurad sodium inhibits the uric acid transporter URAT1 and Kidney transporter OAT with IC50/Km of 4.3 μM/0.85 μM and 3.5 μM/2 μM for OAT1 and OAT3, respectively.
Targets
URAT1 ; OAT1 (Cell-free assay); OAT3 (Cell-free assay); OAT3 (Cell-free assay); OAT1 (Cell-free assay) ; 0.85 μM(Km); 2 μM(Km); 3.5 μM; 4.3 μM
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Naphthalenes Alkylarylthioethers Aryl bromides Heteroaromatic compounds Carboxylic acid salts Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic metal halides Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Naphthalene - Aryl thioether - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Organic metal halide - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Sulfenyl compound - Azacycle - Organic alkali metal salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic salt - Organic sodium salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by 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.
Product Properties
ALogP
2.783
hba_count
2
Rotatable Bond
5
Names and Identifiers
IUPAC Name
sodium;2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
INCHI
InChI=1S/C17H14BrN3O2S.Na/c18-16-19-20-17(24-9-15(22)23)21(16)14-8-7-11(10-5-6-10)12-3-1-2-4-13(12)14;/h1-4,7-8,10H,5-6,9H2,(H,22,23);/q;+1/p-1
InChIKey
FVYMVLTWIBGEMC-UHFFFAOYSA-M
Smiles
C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)[O-].[Na+]
Isomeric SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)[O-].[Na+]
Molecular Weight
426.26
Reaxy-Rn
19298555
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19298555&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
85
DMSO(mM) Max Solubility
199.408811523483
Water(mg / mL) Max Solubility
8
Water(mM) Max Solubility
18.7678881433867
Molecular Weight
426.300 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
424.981 Da
Monoisotopic Mass
424.981 Da
Topological Polar Surface Area
96.100 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
485.000
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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