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Lesinurad (sodium)

CAT: 0804-HY-15258A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15258A-01Size:5 mg
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Description
Lesinurad sodium is a URAT1 and OAT inhibitor, is determined to be a substrate for the kidney transporters OAT1 and OAT3 with Km values of 0.85 and 2 μM, respectively.
CAS Number
1151516-14-1
Product Name Alternative
RDEA-594 sodium
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
OAT; URAT1
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Lesinurad-sodium.html
Purity
99.97
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O[Na])CSC1=NN=C(Br)N1C2=C3C=CC=CC3=C(C4CC4)C=C2
Molecular Formula
C17H13BrN3NaO2S
Molecular Weight
426.26
Precautions
H302, H315, H319, H335
References & Citations
[1]Shen Z, et al. In Vitro and In Vivo Interaction Studies Between Lesinurad, a Selective Urate Reabsorption Inhibitor, and Major Liver or Kidney Transporters. Clin Drug Investig. 2016 Jun;36 (6) :443-52|[2]Sattui SE, et al. Treatment of hyperuricemia in gout: current therapeutic options, latest developments and clinical implications. Ther Adv Musculoskelet Dis. 2016 Aug;8 (4) :145-59.|[3]L.Yeh, et al. RDEA594, a potential uric acid lowering agent througn inhibition of uric acid reuptake , shows better pharmacokinetics rhan its prodrug RDEA806. 2008 ACR/ARHP Annual Scientific Meeting, 24-29 October 2008, USA.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Lesinurad Sodium
CAS Number1151516-14-1
PubChem CID56928182
IUPAC Namesodium 2-[[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Molecular FormulaC17H13BrN3NaO2S
Molecular Weight426.3
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity485
SMILES
C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NN=C4Br)SCC(=O)[O-].[Na+]
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
Chemical Structure
2D Structure
2D structure of Lesinurad Sodium
CAS: 1151516-14-1
CID: 56928182
Formula: C17H13BrN3NaO2S
MW: 426.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight426.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass424.98095
Monoisotopic Mass424.98095
Topological Polar Surface Area96.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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