ChemSpider 2D Image | Lesinurad | C17H14BrN3O2S

Lesinurad

  • Molecular FormulaC17H14BrN3O2S
  • Average mass404.281 Da
  • Monoisotopic mass402.998993 Da
  • ChemSpider ID28527877

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{[5-Brom-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
{[5-Bromo-4-(4-cyclopropyl-1-naphthyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid [ACD/IUPAC Name]
2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]-acetic acid
2-{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
878672-00-5 [RN]
Acetic acid, 2-[[5-bromo-4-(4-cyclopropyl-1-naphthalenyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
Acide {[5-bromo-4-(4-cyclopropyl-1-naphtyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétique [French] [ACD/IUPAC Name]
lesinurad [Spanish] [INN]
Lesinurad [INN] [USAN]
lésinurad [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

09ERP08I3W [DBID]
9345 [DBID]
RDEA 594 [DBID]
RDEA594 [DBID]
RDEA-594 [DBID]
UNII:09ERP08I3W [DBID]
UNII-09ERP08I3W [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. ChEBI CHEBI:90929

    • Bio Activity:

      Lesinurad(RDEA594) is an once-daily inhibitor of URAT1; URAT1 is a transporter in the kidney that regulates uric acid excretion from the body. MedChem Express
      Lesinurad(RDEA594) is an once-daily inhibitor of URAT1; URAT1 is a transporter in the kidney that regulates uric acid excretion from the body.; IC50 Value:; Target: URAT1; in vitro:; in vivo: In healthy subjects, the combination of 40 mg FBX with RDEA-594 reduced sUA by approximately 70% at the 200 mg and 400 mg RDEA-594 dose levels, respectively. MedChem Express HY-15258
      Lesinurad(RDEA594) is an once-daily inhibitor of URAT1; URAT1 is a transporter in the kidney that regulates uric acid excretion from the body.;IC50 Value:;Target: URAT1;In vitro:;In vivo: In healthy subjects, the combination of 40 mg FBX with RDEA-594 reduced sUA by approximately 70% at the 200 mg and 400 mg RDEA-594 dose levels, respectively. In gout patients, FBX 40 mg and 80 mg alone reduced sUA by 35% and 47%, respectively. FBX 40 mg + RDEA-594 reduced sUA by 56% and 61% when combined with RDEA-594 400 mg or 600 mg. respectively, resulting in response rates of 100% for sUA <6 and <5 mg/dl and 64% <4 mg/dl. FBX 80 mg + RDEA-594 reduced sUA by 65% and 73% when combined with RDEA-594 400 mg or 600 mg respectively [1]. Following single dosing of RDEA594, exposure of RDEA594 was significantly higher than those obtained from RDEA 806 dosing, >5X at 20 mg/kg in rats and >10X at 30 mg/kg in monkeys [2].Clinical trial: Lesinurad and Febuxostat Combination Extension Study in Gout .Pha MedChem Express HY-15258
      Membrane Transporter/Ion Channel MedChem Express HY-15258
      Membrane Transporter/Ion Channel; MedChem Express HY-15258
      URAT1 MedChem Express HY-15258

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 643.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 343.1±34.3 °C
Index of Refraction: 1.776
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.96
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 4.93
ACD/KOC (pH 5.5): 20.10
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 93 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 67.0±7.0 dyne/cm
Molar Volume: 234.0±7.0 cm3

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