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Chemical structure of URAT1 inhibitor 1

GC65362

URAT1 inhibitor 1

Also known as 1-[[5-bromo-4-[(4-bromonaphthalen-1-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylmethanesulfonamide

URAT1 inhibitor 1 (1g) is a uric acid transporter 1 (URAT1) inhibitor, with an IC50 of 32 nM

ChemicalCAS2268720-62-1MW569.29FormulaC19H15Br2N5O2S2
CAS number
2268720-62-1
Molecular weight
569.29
Formula
C19H15Br2N5O2S2
Solubility
DMSO : 125 mg/mL (219·57 mM; ultrasonic and warming and heat to 60°C)
InChIKey
KPBJDNPRRPXSOG-UHFFFAOYSA-N
Catalogue number
GC65362
Brand
GLPBIO
Computed properties PubChem CID 138454759 · XLogP 4.5 · TPSA 123 Ų · H-bond donors 1
XLogP
4.5
TPSA
123 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30

SMILES C1=CC=C2C(=C1)C(=CC=C2Br)CN3C(=NN=C3Br)SCS(=O)(=O)NC4=CN=CC=C4

Computed descriptors from PubChem (CID 138454759), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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