Lesinurad sodium
Lesinurad sodium structure
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Common Name | Lesinurad sodium | ||
|---|---|---|---|---|
| CAS Number | 1151516-14-1 | Molecular Weight | 426.26300 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C17H13BrN3NaO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of Lesinurad sodiumLesinurad 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. |
Summary: Lesinurad sodium (RDEA594 sodium), a URAT1 inhibitor, has the chemical name C17H13BrN3NaO2S and a molecular weight of 426.26300, with a CAS number of 1151516-14-1. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Lesinurad sodium |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| 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. |
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| Related Catalog | |
| Target |
Km: 0.85 µM (OAT1), 2 µM (OAT3)[1] |
| In Vitro | Lesinurad is a novel selective uric acid reabsorption inhibitor (SURI). Lesinurad is determined to be a substrate for the kidney transporters organic anion transporter (OAT1) and OAT3 with Km values of 0.85 and 2 µM, respectively[1]. Lesinurad (RDEA594) is a URAT1 and OAT inhibitor, which increases proximal renal tubule urate excretion[2]. Lesinurad (RDEA594) is a potential uric acid lowering agent througn inhibition of uric acid reuptake, and exhibits favorable p450 profiles, inhibits CYP2C9 and CYP2C8 with IC50 of 14.4 μM and 16.2 μM, respectively. IC50s of Lesinurad are all above 100 µM for CYP1A2, CYP2C19,and CYP2D6[3]. |
| In Vivo | Lesinurad (RDEA594) shows better pharmacokinetics than its pro-drug RDEA806. The 100 mg dose of Lesinurad exhibits a phamacological effect in the range of that produced by 300 mg to 800 mg single doses of RDEA806[3]. |
| Cell Assay | Validated oocytes, HEK293, MDCK-II, Caco-2 or MDCK-MDR1 cell systems are used to study the interaction of Lesinurad with membrane transporters localized to the kidney (OAT1, OAT3, OCT2, MATE1, and MATE2K) or liver (P-gp, BCRP, OATP1B1, OATP1B3, and OCT1). Xenopus laevis oocytes are injected with OAT1 or OAT3 cRNA or control (water) while HEK293 cells are stably transfected with MATE1, MATE2K, or vector and MDCK-II cells with hOATP1B1, hOATP1B3, hOCT1, hOCT2, or vector. The MDCKII cell line is stably transfected with the human MDR1 gene to create a P-gp cell line. The interaction of Lesinurad with BCRP relied on the endogenous expression in Caco-2 cells. All cells are cultured with growth medium according to standard methodology. In order to determine whether Lesinurad is a substrate for a transporter, cells are incubated with [14C]-labeled Lesinurad at various concentrations and the amount of Lesinurad taken up by the cells determined by subtracting the uptake in vector cells from that in the transfected cells. The uptake of a [3H]-labeled known substrate of the transporter served as the positive control. Inhibition of a transporter by Lesinurad is determined by incubating cells with a fixed concentration of [3H]-labeled known substrate and various concentrations of unlabeled Lesinurad. Inhibition by a known inhibitor of each transporter served as the positive control. Cells are incubated for the appropriate amount of time. All reactions are terminated by the addition of ice-cold medium. The cells are then rinsed with medium and lysed[1]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C17H13BrN3NaO2S |
|---|---|
| Molecular Weight | 426.26300 |
| Exact Mass | 424.98100 |
| PSA | 96.14000 |
| LogP | 2.90240 |
| InChIKey | FVYMVLTWIBGEMC-UHFFFAOYSA-M |
| SMILES | O=C([O-])CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12.[Na+] |
| Storage condition | 2-8℃ |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| sodium 2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate |
| Acetic acid, 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, sodium salt |
| RDEA-594 sodium |
| Lesinurad (sodium) |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of Lesinurad sodium? |
| A: The English name of Lesinurad sodium is Lesinurad sodium. |
| Q: What English synonyms does Lesinurad sodium have? |
| A: English synonyms of Lesinurad sodium: sodium 2-((5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, Acetic acid, 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-, sodium salt, RDEA-594 sodium, Lesinurad (sodium). |
| Q: What is the SMILES notation of Lesinurad sodium? |
| A: SMILES notation of Lesinurad sodium is O=C([O-])CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12.[Na+]. |
| Q: What is the molecular formula of Lesinurad sodium? |
| A: Molecular formula of Lesinurad sodium is C17H13BrN3NaO2S. |
| Q: What is the CAS number of Lesinurad sodium? |
| A: CAS number of Lesinurad sodium is 1151516-14-1. |
| Q: What is the molecular weight of Lesinurad sodium? |
| A: Molecular weight of Lesinurad sodium is 426.26300. |
| Q: What are the storage conditions for Lesinurad sodium? |
| A: Storage conditions for Lesinurad sodium: 2-8℃. |
| Q: What are the uses of Lesinurad sodium? |
| A: Main uses of Lesinurad sodium: 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. |
| Q: What is the LogP of Lesinurad sodium? |
| A: LogP of Lesinurad sodium is 2.90240. |
| Q: What is the polar surface area (PSA) of Lesinurad sodium? |
| A: Polar surface area (PSA) of Lesinurad sodium is 96.14000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |