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Chemical structure of UR 1102

GB40401

UR 1102

Also known as (3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone

Inhibitor of the renal urate transporter URAT1 with high selectivity to URAT1 over OAT1 and OAT3 in vitro (Ki values 0·057 µM, 7·2 µM, and 2·4 µM, respectively), capable of increasing the fractional excretion of urinary uric acid, and reducing plasma uric acid more effectively than Benzbromarone· A potential novel therapeutic option with an enhanced pharmacokinetic profile for patients with gout or hyperuricemia

ChemicalCAS1198153-15-9MW414.05FormulaC14H10Br2N2O3
CAS number
1198153-15-9
Molecular weight
414.05
Formula
C14H10Br2N2O3
Solubility
DMSO : 100 mg/mL (241·52 mM; Need ultrasonic)
InChIKey
ZMVGQIIOXCGAFV-UHFFFAOYSA-N
Catalogue number
GB40401
Brand
GLPBIO
Computed properties PubChem CID 44608229 · XLogP 2.6 · TPSA 62.7 Ų · H-bond donors 1
XLogP
2.6
TPSA
62.7 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
21

SMILES C1COC2=C(N1C(=O)C3=CC(=C(C(=C3)Br)O)Br)C=NC=C2

Computed descriptors from PubChem (CID 44608229), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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